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

C25H39N3O3 — CID 10181064

IUPACN-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
SMILESCC1CN(CCC(C(=O)NCC(N)=O)C2CCCCC2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C25H39N3O3/c1-18-17-28(14-12-25(18,2)20-9-6-10-21(29)15-20)13-11-22(19-7-4-3-5-8-19)24(31)27-16-23(26)30/h6,9-10,15,18-19,22,29H,3-5,7-8,11-14,16-17H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyVVDFZEVJLIKPCH-UHFFFAOYSA-N
MW429.61 g/mol
LogP3.18
Rot. Bonds8

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

N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide (PubChem CID 10181064) has the molecular formula C25H39N3O3 and a molecular weight of 429.61 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
PubChem CID10181064
Molecular FormulaC25H39N3O3
Molecular Weight429.61 g/mol
Exact Mass429.30
IUPAC NameN-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
SMILESCC1CN(CCC(C(=O)NCC(N)=O)C2CCCCC2)CCC1(C)c1cccc(O)c1
InChIInChI=1S/C25H39N3O3/c1-18-17-28(14-12-25(18,2)20-9-6-10-21(29)15-20)13-11-22(19-7-4-3-5-8-19)24(31)27-16-23(26)30/h6,9-10,15,18-19,22,29H,3-5,7-8,11-14,16-17H2,1-2H3,(H2,26,30)(H,27,31)
InChIKeyVVDFZEVJLIKPCH-UHFFFAOYSA-N
XLogP3.18
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.61
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide with MolForge

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Related Compounds

2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-N-[2-(methylamino)-2-oxoethyl]butanamide
CID 10181960
3-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]propanamide
CID 141106178
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-cyclohexyl-3-methoxypropyl]-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637266
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]butanediamide;hydrochloride
CID 67792979
3-[(3R,4S)-1-(2-cyclohexylethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 18637216
N'-cyclohexyl-N'-[2-[(3R,4S)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]ethyl]-N-methylpropanediamide
CID 57257206
4-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butan-2-one
CID 58583518
2-benzyl-N-[2-(benzylamino)-2-oxoethyl]-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide
CID 11168505
3-[(3R,4S)-1-[(3R)-3-hydroxy-4-methylpentyl]-3,4-dimethylpiperidin-4-yl]phenol
CID 18637263
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide (CID 10181064) is N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide is CC1CN(CCC(C(=O)NCC(N)=O)C2CCCCC2)CCC1(C)c1cccc(O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide?
The InChIKey is VVDFZEVJLIKPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O3/c1-18-17-28(14-12-25(18,2)20-9-6-10-21(29)15-20)13-11-22(19-7-4-3-5-8-19)24(31)27-16-23(26)30/h6,9-10,15,18-19,22,29H,3-5,7-8,11-14,16-17H2,1-2H3,(H2,26,30)(H,27,31).
What are the key properties of N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide?
N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide has a molecular weight of 429.61 g/mol, XLogP of 3.18, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-cyclohexyl-4-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]butanamide is sourced from PubChem (CID 10181064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).