N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide

C22H34N2O2 — CID 42935438

IUPACN-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCC(c3ccc(O)cc3)CC2)C1C
InChIInChI=1S/C22H34N2O2/c1-15-5-4-6-21(16(15)2)23-22(26)17(3)24-13-11-19(12-14-24)18-7-9-20(25)10-8-18/h7-10,15-17,19,21,25H,4-6,11-14H2,1-3H3,(H,23,26)
InChIKeyISDDDPSIPDKRQV-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.90
Rot. Bonds4

About N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide

N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide (PubChem CID 42935438) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
PubChem CID42935438
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide
SMILESCC1CCCC(NC(=O)C(C)N2CCC(c3ccc(O)cc3)CC2)C1C
InChIInChI=1S/C22H34N2O2/c1-15-5-4-6-21(16(15)2)23-22(26)17(3)24-13-11-19(12-14-24)18-7-9-20(25)10-8-18/h7-10,15-17,19,21,25H,4-6,11-14H2,1-3H3,(H,23,26)
InChIKeyISDDDPSIPDKRQV-UHFFFAOYSA-N
XLogP3.90
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-benzoylpiperidin-1-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]propanamide
CID 100850192
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 11927997
(2S)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844711
(2S)-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]propanamide
CID 99844709
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(4-nitrophenyl)piperazin-1-yl]propanamide
CID 11928083
(2R)-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 11928091
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylcyclohexyl)propanamide
CID 55411006
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933591
(2R)-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]propanamide
CID 11933587
2-[4-(4-hydroxyphenyl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 94595136
N-(2,3-dimethylcyclohexyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628459
(2R)-2-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]propanamide
CID 11932124

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide (CID 42935438) is N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide is CC1CCCC(NC(=O)C(C)N2CCC(c3ccc(O)cc3)CC2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide?
The InChIKey is ISDDDPSIPDKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-15-5-4-6-21(16(15)2)23-22(26)17(3)24-13-11-19(12-14-24)18-7-9-20(25)10-8-18/h7-10,15-17,19,21,25H,4-6,11-14H2,1-3H3,(H,23,26).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide?
N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide has a molecular weight of 358.53 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[4-(4-hydroxyphenyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 42935438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).