N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride

C16H23ClN2OS — CID 119323172

IUPACN-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(Sc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C16H22N2OS.ClH/c19-15(13-6-10-17-11-7-13)18-12-16(8-9-16)20-14-4-2-1-3-5-14;/h1-5,13,17H,6-12H2,(H,18,19);1H
InChIKeyLQFAWVXDKHSWPQ-UHFFFAOYSA-N
MW326.89 g/mol
LogP2.85
Rot. Bonds5

About N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride

N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 119323172) has the molecular formula C16H23ClN2OS and a molecular weight of 326.89 g/mol. Its IUPAC name is N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
PubChem CID119323172
Molecular FormulaC16H23ClN2OS
Molecular Weight326.89 g/mol
Exact Mass326.12
IUPAC NameN-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(Sc2ccccc2)CC1)C1CCNCC1
InChIInChI=1S/C16H22N2OS.ClH/c19-15(13-6-10-17-11-7-13)18-12-16(8-9-16)20-14-4-2-1-3-5-14;/h1-5,13,17H,6-12H2,(H,18,19);1H
InChIKeyLQFAWVXDKHSWPQ-UHFFFAOYSA-N
XLogP2.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.89
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-phenylsulfanylcyclopropyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119323178
3-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782888
9-amino-N-[(1-phenylsulfanylcyclopropyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989527
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119782648
3-amino-N-[(1-phenylsulfanylcyclopentyl)methyl]cyclohexane-1-carboxamide
CID 119782649
N-[(1-phenylcyclopentyl)methyl]piperidine-4-carboxamide
CID 119275845
N-[(2-phenylsulfanylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 119320171
2-(methylamino)-N-[(1-phenylsulfanylcyclopropyl)methyl]acetamide;hydrochloride
CID 119782892
N-benzylpiperidine-4-carboxamide
CID 3868064
2-amino-2-methyl-N-[(1-phenylsulfanylcyclopropyl)methyl]pentanamide;hydrochloride
CID 119782926
N-[(1-phenylsulfanylcyclopentyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119782670
1-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 111618857

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride (CID 119323172) is N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCC1(Sc2ccccc2)CC1)C1CCNCC1.
What is the InChIKey of N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is LQFAWVXDKHSWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS.ClH/c19-15(13-6-10-17-11-7-13)18-12-16(8-9-16)20-14-4-2-1-3-5-14;/h1-5,13,17H,6-12H2,(H,18,19);1H.
What are the key properties of N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride?
N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 326.89 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylsulfanylcyclopropyl)methyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119323172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).