N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride

C11H16ClN2OS- — CID 45108547

IUPACN-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
SMILESO=C(NCc1ccsc1)C1CCCCN1.[Cl-]
InChIInChI=1S/C11H16N2OS.ClH/c14-11(10-3-1-2-5-12-10)13-7-9-4-6-15-8-9;/h4,6,8,10,12H,1-3,5,7H2,(H,13,14);1H/p-1
InChIKeyKXVWOVXTLYFORO-UHFFFAOYSA-M
MW259.78 g/mol
LogP-1.49
Rot. Bonds3

About N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride

N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride (PubChem CID 45108547) has the molecular formula C11H16ClN2OS- and a molecular weight of 259.78 g/mol. Its IUPAC name is N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride.

Molecular Properties

Compound NameN-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
PubChem CID45108547
Molecular FormulaC11H16ClN2OS-
Molecular Weight259.78 g/mol
Exact Mass259.07
IUPAC NameN-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride
SMILESO=C(NCc1ccsc1)C1CCCCN1.[Cl-]
InChIInChI=1S/C11H16N2OS.ClH/c14-11(10-3-1-2-5-12-10)13-7-9-4-6-15-8-9;/h4,6,8,10,12H,1-3,5,7H2,(H,13,14);1H/p-1
InChIKeyKXVWOVXTLYFORO-UHFFFAOYSA-M
XLogP-1.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 5-1.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(2-thiophen-3-ylethyl)pyrrolidine-2-carboxamide
CID 61474678
N-[(4-fluorophenyl)methyl]piperidine-2-carboxamide
CID 11615609
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
N-thiophen-3-ylpiperidine-2-carboxamide
CID 66352407
4-[[[(2S)-piperidine-2-carbonyl]amino]methyl]benzoic acid
CID 103869345
(2R)-N-(1H-pyrrol-3-ylmethyl)piperidine-2-carboxamide
CID 106384933
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 43094683
3-[(piperidine-2-carbonylamino)methyl]benzoic acid
CID 61161692
2-methyl-N-(thiophen-3-ylmethyl)pyrrolidine-3-carboxamide
CID 79383907
N-[(4-tert-butylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119280628
N-(pyridin-2-ylmethyl)azocane-2-carboxamide
CID 114240037

Frequently Asked Questions

What is the IUPAC name of N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride?
The IUPAC name of N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride (CID 45108547) is N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride.
What is the SMILES notation for N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride?
The canonical SMILES for N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride is O=C(NCc1ccsc1)C1CCCCN1.[Cl-].
What is the InChIKey of N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride?
The InChIKey is KXVWOVXTLYFORO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N2OS.ClH/c14-11(10-3-1-2-5-12-10)13-7-9-4-6-15-8-9;/h4,6,8,10,12H,1-3,5,7H2,(H,13,14);1H/p-1.
What are the key properties of N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride?
N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride has a molecular weight of 259.78 g/mol, XLogP of -1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-3-ylmethyl)piperidine-2-carboxamide chloride is sourced from PubChem (CID 45108547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).