N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

C21H26N2OS — CID 134802535

IUPACN-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H26N2OS/c24-21(22-14-16-6-7-16)19-4-1-2-12-23(19)15-17-8-10-18(11-9-17)20-5-3-13-25-20/h3,5,8-11,13,16,19H,1-2,4,6-7,12,14-15H2,(H,22,24)
InChIKeyHYMJBMQQBPFVRU-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.30
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide

N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 134802535) has the molecular formula C21H26N2OS and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
PubChem CID134802535
Molecular FormulaC21H26N2OS
Molecular Weight354.52 g/mol
Exact Mass354.18
IUPAC NameN-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide
SMILESO=C(NCC1CC1)C1CCCCN1Cc1ccc(-c2cccs2)cc1
InChIInChI=1S/C21H26N2OS/c24-21(22-14-16-6-7-16)19-4-1-2-12-23(19)15-17-8-10-18(11-9-17)20-5-3-13-25-20/h3,5,8-11,13,16,19H,1-2,4,6-7,12,14-15H2,(H,22,24)
InChIKeyHYMJBMQQBPFVRU-UHFFFAOYSA-N
XLogP4.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
(2S)-1-benzyl-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131930539
1-benzyl-N-(cyclopropylmethyl)aziridine-2-carboxamide
CID 5188811
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-(cyclohexylmethyl)-1-(1H-pyrrol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 100681162
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
4-[[[(2R)-1-benzylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 124703936
1-benzyl-N-[3-(methylamino)propyl]piperidine-2-carboxamide;dihydrochloride
CID 119433038
1-benzyl-N-(pyrrolidin-2-ylmethyl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119514658
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 134800141
N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 42945062
N-(1,3-benzodioxol-5-ylmethyl)-1-[(4-thiophen-3-ylphenyl)methyl]piperidine-2-carboxamide
CID 134796269

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide (CID 134802535) is N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is O=C(NCC1CC1)C1CCCCN1Cc1ccc(-c2cccs2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is HYMJBMQQBPFVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2OS/c24-21(22-14-16-6-7-16)19-4-1-2-12-23(19)15-17-8-10-18(11-9-17)20-5-3-13-25-20/h3,5,8-11,13,16,19H,1-2,4,6-7,12,14-15H2,(H,22,24).
What are the key properties of N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide?
N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 354.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(4-thiophen-2-ylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 134802535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).