N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide

C22H34N2O2 — CID 42342863

IUPACN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-26-21-13-10-18(11-14-21)12-15-22(25)23-19-7-6-16-24(17-19)20-8-4-2-3-5-9-20/h10-11,13-14,19-20H,2-9,12,15-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyVTULULMDCGTAGE-IBGZPJMESA-N
MW358.53 g/mol
LogP3.93
Rot. Bonds6

About N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide

N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide (PubChem CID 42342863) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
PubChem CID42342863
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cc1
InChIInChI=1S/C22H34N2O2/c1-26-21-13-10-18(11-14-21)12-15-22(25)23-19-7-6-16-24(17-19)20-8-4-2-3-5-9-20/h10-11,13-14,19-20H,2-9,12,15-17H2,1H3,(H,23,25)/t19-/m0/s1
InChIKeyVTULULMDCGTAGE-IBGZPJMESA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methoxyphenyl)-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-4-oxobutanamide
CID 45175838
2-(4-methoxyphenoxy)-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]acetamide
CID 28957064
N-(1-cycloheptylpiperidin-3-yl)-2-(2-methoxyphenoxy)acetamide
CID 45214844
N-(1-ethylpiperidin-4-yl)-3-(4-methoxyphenyl)propanamide
CID 17250230
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
N-(4-chlorocyclohexyl)-3-(4-methoxyphenyl)propanamide
CID 114297242
N-(1-cyclohexylpiperidin-3-yl)-3-ethoxypropanamide
CID 56785441
N-(1-cyclohexylpyrrolidin-3-yl)-3-(1H-pyrazol-4-yl)propanamide
CID 132984215
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-3-(4-methoxyphenyl)propan-1-one
CID 79094029
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
N-[2-(cyclohexylamino)-2-oxoethyl]-5-(4-methoxyphenyl)pentanamide
CID 110305405
3-(4-methoxyphenyl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388852

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide (CID 42342863) is N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)N[C@H]2CCCN(C3CCCCCC3)C2)cc1.
What is the InChIKey of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is VTULULMDCGTAGE-IBGZPJMESA-N. The full InChI is InChI=1S/C22H34N2O2/c1-26-21-13-10-18(11-14-21)12-15-22(25)23-19-7-6-16-24(17-19)20-8-4-2-3-5-9-20/h10-11,13-14,19-20H,2-9,12,15-17H2,1H3,(H,23,25)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide?
N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 358.53 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-cycloheptylpiperidin-3-yl]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 42342863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).