N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide

C29H51N3O2S — CID 163133538

IUPACN-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1CCCCC1)C1CCC2(C)CC3SC(C4CCNCC4)NC3C(C)C2C1O
InChIInChI=1S/C29H51N3O2S/c1-18(28(34)32(4)17-20-8-6-5-7-9-20)22-10-13-29(3)16-23-25(19(2)24(29)26(22)33)31-27(35-23)21-11-14-30-15-12-21/h18-27,30-31,33H,5-17H2,1-4H3
InChIKeySGRQYTYLRYEBFZ-UHFFFAOYSA-N
MW505.81 g/mol
LogP4.49
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide

N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide (PubChem CID 163133538) has the molecular formula C29H51N3O2S and a molecular weight of 505.81 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide
PubChem CID163133538
Molecular FormulaC29H51N3O2S
Molecular Weight505.81 g/mol
Exact Mass505.37
IUPAC NameN-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CC1CCCCC1)C1CCC2(C)CC3SC(C4CCNCC4)NC3C(C)C2C1O
InChIInChI=1S/C29H51N3O2S/c1-18(28(34)32(4)17-20-8-6-5-7-9-20)22-10-13-29(3)16-23-25(19(2)24(29)26(22)33)31-27(35-23)21-11-14-30-15-12-21/h18-27,30-31,33H,5-17H2,1-4H3
InChIKeySGRQYTYLRYEBFZ-UHFFFAOYSA-N
XLogP4.49
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.81
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide with MolForge

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Related Compounds

2-(2,5-dimethylpyrrolidin-1-yl)-N-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79720600
N-(2-cyanoethyl)-2-[7-(ethylcarbamoylamino)-1-hydroxy-4a,8-dimethyl-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl]-N-methylpropanamide
CID 74578780
2,2-difluoro-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 103514236
2,2-dicyclopropyl-N-methyl-N-(piperidin-4-ylmethyl)acetamide
CID 112745071
N-(cyclohexylmethyl)-2-methoxy-N-methylpropanamide
CID 112685953
N-(cyclohexylmethyl)-N-methyl-4-propylpiperidine-4-carboxamide
CID 63128373
N-(cyclohexylmethyl)-N-methyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709696
4-[cyclopentylmethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103498428
(2S)-2-[(4S,4aS,5S,6R,8aS)-2-amino-5-hydroxy-4,8a-dimethyl-4a,5,6,7,8,9-hexahydro-4H-benzo[f][1,3]benzothiazol-6-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 11866847
2-amino-N-(cyclohexylmethyl)-N,3-dimethylbutanamide;hydrochloride
CID 119279206
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
N-(cyclohexylmethyl)-4-methoxy-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119704445

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide?
The IUPAC name of N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide (CID 163133538) is N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide is CC(C(=O)N(C)CC1CCCCC1)C1CCC2(C)CC3SC(C4CCNCC4)NC3C(C)C2C1O.
What is the InChIKey of N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide?
The InChIKey is SGRQYTYLRYEBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H51N3O2S/c1-18(28(34)32(4)17-20-8-6-5-7-9-20)22-10-13-29(3)16-23-25(19(2)24(29)26(22)33)31-27(35-23)21-11-14-30-15-12-21/h18-27,30-31,33H,5-17H2,1-4H3.
What are the key properties of N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide?
N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide has a molecular weight of 505.81 g/mol, XLogP of 4.49, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(5-hydroxy-4,8a-dimethyl-2-piperidin-4-yl-3,3a,4,4a,5,6,7,8,9,9a-decahydro-2H-naphtho[3,2-d][1,3]thiazol-6-yl)-N-methylpropanamide is sourced from PubChem (CID 163133538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).