2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide

C26H41N3O3 — CID 10181960

IUPAC2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)C(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)C1CCCCC1
InChIInChI=1S/C26H41N3O3/c1-19-18-29(15-13-26(19,2)21-10-7-11-22(30)16-21)14-12-23(20-8-5-4-6-9-20)25(32)28-17-24(31)27-3/h7,10-11,16,19-20,23,30H,4-6,8-9,12-15,17-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeySRXPHNKEJSGSGY-UHFFFAOYSA-N
MW443.63 g/mol
LogP3.44
Rot. Bonds8

About 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide

2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide (PubChem CID 10181960) has the molecular formula C26H41N3O3 and a molecular weight of 443.63 g/mol. Its IUPAC name is 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide
PubChem CID10181960
Molecular FormulaC26H41N3O3
Molecular Weight443.63 g/mol
Exact Mass443.31
IUPAC Name2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide
SMILESCNC(=O)CNC(=O)C(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)C1CCCCC1
InChIInChI=1S/C26H41N3O3/c1-19-18-29(15-13-26(19,2)21-10-7-11-22(30)16-21)14-12-23(20-8-5-4-6-9-20)25(32)28-17-24(31)27-3/h7,10-11,16,19-20,23,30H,4-6,8-9,12-15,17-18H2,1-3H3,(H,27,31)(H,28,32)
InChIKeySRXPHNKEJSGSGY-UHFFFAOYSA-N
XLogP3.44
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
CID 10181064
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]-N-methylpropanediamide
CID 57257206
2-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[4-(methylamino)-4-oxobutyl]propanamide
CID 19791628
3-[(3R,4S)-1-[(3R)-3-cyclohexyl-3-methoxypropyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637266
2-benzyl-N-[2-(benzylamino)-2-oxoethyl]-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
CID 11168505
3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 18637216
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
(2S)-2-[3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanoylamino]pentanedioic acid
CID 50943207
N-(4-amino-4-oxobutyl)-2-(cyclohexylmethyl)-3-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 19791647
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide?
The IUPAC name of 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide (CID 10181960) is 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide is CNC(=O)CNC(=O)C(CCN1CCC(C)(c2cccc(O)c2)C(C)C1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide?
The InChIKey is SRXPHNKEJSGSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H41N3O3/c1-19-18-29(15-13-26(19,2)21-10-7-11-22(30)16-21)14-12-23(20-8-5-4-6-9-20)25(32)28-17-24(31)27-3/h7,10-11,16,19-20,23,30H,4-6,8-9,12-15,17-18H2,1-3H3,(H,27,31)(H,28,32).
What are the key properties of 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide?
2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide has a molecular weight of 443.63 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 10181960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).