N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide

C19H28N2O2S — CID 119801073

IUPACN-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(CSC3CCCC3)c2)CCNCC1
InChIInChI=1S/C19H28N2O2S/c1-23-19(9-11-20-12-10-19)18(22)21-16-6-4-5-15(13-16)14-24-17-7-2-3-8-17/h4-6,13,17,20H,2-3,7-12,14H2,1H3,(H,21,22)
InChIKeyVRBMVCMJOQLYCP-UHFFFAOYSA-N
MW348.51 g/mol
LogP3.57
Rot. Bonds6

About N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide

N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119801073) has the molecular formula C19H28N2O2S and a molecular weight of 348.51 g/mol. Its IUPAC name is N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119801073
Molecular FormulaC19H28N2O2S
Molecular Weight348.51 g/mol
Exact Mass348.19
IUPAC NameN-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2cccc(CSC3CCCC3)c2)CCNCC1
InChIInChI=1S/C19H28N2O2S/c1-23-19(9-11-20-12-10-19)18(22)21-16-6-4-5-15(13-16)14-24-17-7-2-3-8-17/h4-6,13,17,20H,2-3,7-12,14H2,1H3,(H,21,22)
InChIKeyVRBMVCMJOQLYCP-UHFFFAOYSA-N
XLogP3.57
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethylphenyl)-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119675705
N-[3-(cyclopropylmethoxymethyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119754019
4-methoxy-N-[3-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119819398
N-[3-(cyclopropanecarbonylamino)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119710488
N-(3-ethylsulfanylphenyl)-4-methoxypiperidine-4-carboxamide
CID 119787035
N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119710766
N-[3-(difluoromethylsulfanyl)phenyl]-4-methoxypiperidine-4-carboxamide
CID 119770540
4-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide
CID 119751959
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119333538
4-(aminomethyl)-N-[3-(cyclohexylsulfanylmethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120933844
N-[3-(4-chlorophenyl)sulfanylphenyl]-4-methoxypiperidine-4-carboxamide
CID 119813165
2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide (CID 119801073) is N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)Nc2cccc(CSC3CCCC3)c2)CCNCC1.
What is the InChIKey of N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is VRBMVCMJOQLYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2S/c1-23-19(9-11-20-12-10-19)18(22)21-16-6-4-5-15(13-16)14-24-17-7-2-3-8-17/h4-6,13,17,20H,2-3,7-12,14H2,1H3,(H,21,22).
What are the key properties of N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide?
N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 348.51 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopentylsulfanylmethyl)phenyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119801073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).