N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride

C13H20ClN3O2S — CID 119385819

IUPACN-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-9(15-13(18)11-3-2-8-19-11)12(17)16-10-4-6-14-7-5-10;/h2-3,8-10,14H,4-7H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyRJCWZYATMRFGAJ-UHFFFAOYSA-N
MW317.84 g/mol
LogP1.16
Rot. Bonds4

About N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride

N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119385819) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
PubChem CID119385819
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC NameN-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
SMILESCC(NC(=O)c1cccs1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C13H19N3O2S.ClH/c1-9(15-13(18)11-3-2-8-19-11)12(17)16-10-4-6-14-7-5-10;/h2-3,8-10,14H,4-7H2,1H3,(H,15,18)(H,16,17);1H
InChIKeyRJCWZYATMRFGAJ-UHFFFAOYSA-N
XLogP1.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119387503
N-[1-[(1-benzylpiperidin-4-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55484698
N-piperidin-4-yl-2-(thiophen-2-ylsulfonylamino)propanamide
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CID 110903621
4-chloro-N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]benzamide;hydrochloride
CID 119389974
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CID 39612740
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N-[1-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46510433
N-[2-(2-methylpropylamino)-2-oxo-1-piperidin-4-ylethyl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride (CID 119385819) is N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is CC(NC(=O)c1cccs1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is RJCWZYATMRFGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S.ClH/c1-9(15-13(18)11-3-2-8-19-11)12(17)16-10-4-6-14-7-5-10;/h2-3,8-10,14H,4-7H2,1H3,(H,15,18)(H,16,17);1H.
What are the key properties of N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride?
N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 317.84 g/mol, XLogP of 1.16, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(piperidin-4-ylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119385819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).