N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide

C14H17ClN2O2S — CID 45243115

IUPACN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17ClN2O2S/c15-12-5-4-11(20-12)7-16-14(19)9-1-6-13(18)17(8-9)10-2-3-10/h4-5,9-10H,1-3,6-8H2,(H,16,19)
InChIKeyWYVCAVBASSZRLP-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.42
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide

N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide (PubChem CID 45243115) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
PubChem CID45243115
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1ccc(Cl)s1)C1CCC(=O)N(C2CC2)C1
InChIInChI=1S/C14H17ClN2O2S/c15-12-5-4-11(20-12)7-16-14(19)9-1-6-13(18)17(8-9)10-2-3-10/h4-5,9-10H,1-3,6-8H2,(H,16,19)
InChIKeyWYVCAVBASSZRLP-UHFFFAOYSA-N
XLogP2.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-N-[(5-methylthiophen-2-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 45195394
(3S)-N-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide
CID 42516476
(3S)-1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 26326584
1-cyclopropyl-N-[(4-methylphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 24816632
3-amino-N-[(5-chlorothiophen-2-yl)methyl]cyclobutane-1-carboxamide
CID 115161504
(3R)-1-cyclopropyl-6-oxo-N-prop-2-enylpiperidine-3-carboxamide
CID 42154087
(3R)-N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 97210781
(3R)-1-cycloheptyl-6-oxo-N-(pyrimidin-4-ylmethyl)piperidine-3-carboxamide
CID 97144634
(3R)-1-cyclopentyl-6-oxo-N-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidine-3-carboxamide
CID 42595190
N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 45229982
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-cycloheptyl-6-oxopiperidine-3-carboxamide
CID 26323810
(3R)-1-cyclopropyl-N-(2,2-diphenylpropyl)-6-oxopiperidine-3-carboxamide
CID 97145622

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide (CID 45243115) is N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide is O=C(NCc1ccc(Cl)s1)C1CCC(=O)N(C2CC2)C1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
The InChIKey is WYVCAVBASSZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c15-12-5-4-11(20-12)7-16-14(19)9-1-6-13(18)17(8-9)10-2-3-10/h4-5,9-10H,1-3,6-8H2,(H,16,19).
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide?
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide has a molecular weight of 312.82 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 45243115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).