3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

C14H21ClN2OS — CID 106629031

IUPAC3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1sccc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-10(2)17(9-11-4-3-6-16-8-11)14(18)13-12(15)5-7-19-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3
InChIKeyBWQWCOIHIKBMRE-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.25
Rot. Bonds4

About 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide

3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (PubChem CID 106629031) has the molecular formula C14H21ClN2OS and a molecular weight of 300.85 g/mol. Its IUPAC name is 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
PubChem CID106629031
Molecular FormulaC14H21ClN2OS
Molecular Weight300.85 g/mol
Exact Mass300.11
IUPAC Name3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1sccc1Cl
InChIInChI=1S/C14H21ClN2OS/c1-10(2)17(9-11-4-3-6-16-8-11)14(18)13-12(15)5-7-19-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3
InChIKeyBWQWCOIHIKBMRE-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 106629024
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 106628888
3-chloro-N-(2-piperidin-3-ylethyl)thiophene-2-carboxamide
CID 80641488
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
3-chloro-N-ethyl-N-piperidin-3-ylthiophene-2-carboxamide
CID 80641610
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125
2-(2-methylphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106628910

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The IUPAC name of 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide (CID 106629031) is 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The canonical SMILES for 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is CC(C)N(CC1CCCNC1)C(=O)c1sccc1Cl.
What is the InChIKey of 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
The InChIKey is BWQWCOIHIKBMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2OS/c1-10(2)17(9-11-4-3-6-16-8-11)14(18)13-12(15)5-7-19-13/h5,7,10-11,16H,3-4,6,8-9H2,1-2H3.
What are the key properties of 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide?
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide has a molecular weight of 300.85 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide is sourced from PubChem (CID 106629031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).