N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide

C27H41N3O4 — CID 144643819

IUPACN-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)NCCC1(CC(=O)N(CC1CC1)C(=O)NCC1CC1)c1cc(O)ccc1C
InChIInChI=1S/C27H41N3O4/c1-4-11-27(34)19(3)28-13-12-26(27,23-14-22(31)10-5-18(23)2)15-24(32)30(17-21-8-9-21)25(33)29-16-20-6-7-20/h5,10,14,19-21,28,31,34H,4,6-9,11-13,15-17H2,1-3H3,(H,29,33)
InChIKeyINVAUKISDJLCFL-UHFFFAOYSA-N
MW471.64 g/mol
LogP3.60
Rot. Bonds9

About N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide

N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide (PubChem CID 144643819) has the molecular formula C27H41N3O4 and a molecular weight of 471.64 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
PubChem CID144643819
Molecular FormulaC27H41N3O4
Molecular Weight471.64 g/mol
Exact Mass471.31
IUPAC NameN-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
SMILESCCCC1(O)C(C)NCCC1(CC(=O)N(CC1CC1)C(=O)NCC1CC1)c1cc(O)ccc1C
InChIInChI=1S/C27H41N3O4/c1-4-11-27(34)19(3)28-13-12-26(27,23-14-22(31)10-5-18(23)2)15-24(32)30(17-21-8-9-21)25(33)29-16-20-6-7-20/h5,10,14,19-21,28,31,34H,4,6-9,11-13,15-17H2,1-3H3,(H,29,33)
InChIKeyINVAUKISDJLCFL-UHFFFAOYSA-N
XLogP3.60
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.64
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(4R)-1-(cyclopropylmethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]ethyl]formamide
CID 144643880
N-(benzylcarbamoyl)-2-[1-(cyclopropylmethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
CID 126490733
N-carbamoyl-2-[1-(2,2-difluoroethyl)-3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide
CID 126490841
N-(cyclohexylmethyl)-5a-hydroxy-9a-(5-hydroxy-2-methylphenyl)-6,7-dimethyl-2-oxo-1,5,6,8,9,10-hexahydropyrido[3,4-g]quinoline-3-carboxamide;ethane
CID 144643715
N-[(4aR,7S)-2-(cyclopropylmethyl)-6,8a-dihydroxy-4a-(5-hydroxy-2-methylphenyl)-1-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinolin-7-yl]propanamide
CID 144877009
N-ethyl-N-(5-hydroxy-2-methylphenyl)-3-pyrrolidin-3-ylpropanamide
CID 107734533
3-(2,5-dimethylphenyl)-2-methylpyrrolidin-3-ol
CID 3051399
4-hydroxy-2-methyl-N-[(3-methylpiperidin-2-yl)methyl]benzamide
CID 107671389
2-[[cyclopropylmethyl(ethyl)carbamoyl]amino]-5-hydroxybenzoic acid
CID 63956066
N-(cyclopropylmethyl)-2,4-dihydroxybenzamide
CID 103739641
4-hydroxy-3-methyl-N-[(4-methylcyclohexyl)methyl]benzamide
CID 103956686
(1R,4aR,6S,8aS)-1'-(cyclopropylmethyl)-8a-hydroxy-4a-(5-hydroxy-2-methylphenyl)-1,2-dimethylspiro[1,3,4,5,7,8-hexahydroisoquinoline-6,5'-imidazolidine]-2',4'-dione
CID 126490712

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide (CID 144643819) is N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide is CCCC1(O)C(C)NCCC1(CC(=O)N(CC1CC1)C(=O)NCC1CC1)c1cc(O)ccc1C.
What is the InChIKey of N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
The InChIKey is INVAUKISDJLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N3O4/c1-4-11-27(34)19(3)28-13-12-26(27,23-14-22(31)10-5-18(23)2)15-24(32)30(17-21-8-9-21)25(33)29-16-20-6-7-20/h5,10,14,19-21,28,31,34H,4,6-9,11-13,15-17H2,1-3H3,(H,29,33).
What are the key properties of N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide?
N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide has a molecular weight of 471.64 g/mol, XLogP of 3.60, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(cyclopropylmethylcarbamoyl)-2-[3-hydroxy-4-(5-hydroxy-2-methylphenyl)-2-methyl-3-propylpiperidin-4-yl]acetamide is sourced from PubChem (CID 144643819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).