N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide

C18H26N2OS — CID 110672492

IUPACN-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(CSc2ccccc2)CC1
InChIInChI=1S/C18H26N2OS/c21-18(19-16-6-4-5-7-16)20-12-10-15(11-13-20)14-22-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,19,21)
InChIKeyBKENNOZJYFNEBK-UHFFFAOYSA-N
MW318.49 g/mol
LogP4.14
Rot. Bonds4

About N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide

N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide (PubChem CID 110672492) has the molecular formula C18H26N2OS and a molecular weight of 318.49 g/mol. Its IUPAC name is N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
PubChem CID110672492
Molecular FormulaC18H26N2OS
Molecular Weight318.49 g/mol
Exact Mass318.18
IUPAC NameN-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide
SMILESO=C(NC1CCCC1)N1CCC(CSc2ccccc2)CC1
InChIInChI=1S/C18H26N2OS/c21-18(19-16-6-4-5-7-16)20-12-10-15(11-13-20)14-22-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,19,21)
InChIKeyBKENNOZJYFNEBK-UHFFFAOYSA-N
XLogP4.14
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-cyclopropyl-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 96566331
N-(4-hydroxycyclohexyl)-3-(phenylsulfanylmethyl)pyrrolidine-1-carboxamide
CID 111470923
cyclobutyl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672481
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
ethyl 4-(phenylsulfanylmethyl)piperidine-1-carboxylate
CID 110672480
N-cyclopentyl-4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 38206268
N-cyclopentyl-3-[[ethylamino-[3-(phenylsulfanylmethyl)pyrrolidin-1-yl]methylidene]amino]propanamide
CID 111749331
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cycloheptyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894742
N-cyclooctyl-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894622
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
cyclopropylmethylsulfanylbenzene
CID 579222

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide (CID 110672492) is N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide is O=C(NC1CCCC1)N1CCC(CSc2ccccc2)CC1.
What is the InChIKey of N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide?
The InChIKey is BKENNOZJYFNEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2OS/c21-18(19-16-6-4-5-7-16)20-12-10-15(11-13-20)14-22-17-8-2-1-3-9-17/h1-3,8-9,15-16H,4-7,10-14H2,(H,19,21).
What are the key properties of N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide?
N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(phenylsulfanylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110672492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).