N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride

C14H22ClN3O2S — CID 120598256

IUPACN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)CCNC(=O)c2cccs2)CCN1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10-9-11(4-6-15-10)17-13(18)5-7-16-14(19)12-3-2-8-20-12;/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyZXIIMQMJOHSRLE-UHFFFAOYSA-N
MW331.87 g/mol
LogP1.55
Rot. Bonds5

About N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride

N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 120598256) has the molecular formula C14H22ClN3O2S and a molecular weight of 331.87 g/mol. Its IUPAC name is N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
PubChem CID120598256
Molecular FormulaC14H22ClN3O2S
Molecular Weight331.87 g/mol
Exact Mass331.11
IUPAC NameN-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
SMILESCC1CC(NC(=O)CCNC(=O)c2cccs2)CCN1.Cl
InChIInChI=1S/C14H21N3O2S.ClH/c1-10-9-11(4-6-15-10)17-13(18)5-7-16-14(19)12-3-2-8-20-12;/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18);1H
InChIKeyZXIIMQMJOHSRLE-UHFFFAOYSA-N
XLogP1.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-oxo-3-(piperidin-3-ylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 119428252
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]-1H-indazole-3-carboxamide;hydrochloride
CID 120599389
N-[4-(cyclopropylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180198
N-[3-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 39948332
N-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 104927828
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
cis-(1S,3R)-3-[[2-(thiophene-2-carbonylamino)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120676600
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide;hydrochloride
CID 120601314
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-(2-methylpiperidin-4-yl)-2-thiophen-3-ylacetamide;hydrochloride
CID 120600805
N-(2-methylpiperidin-4-yl)-3-thiophen-3-ylpropanamide
CID 120601265
3-(1-adamantylcarbamoylamino)-N-(2-methylpiperidin-4-yl)propanamide
CID 120601315

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride (CID 120598256) is N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride is CC1CC(NC(=O)CCNC(=O)c2cccs2)CCN1.Cl.
What is the InChIKey of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is ZXIIMQMJOHSRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S.ClH/c1-10-9-11(4-6-15-10)17-13(18)5-7-16-14(19)12-3-2-8-20-12;/h2-3,8,10-11,15H,4-7,9H2,1H3,(H,16,19)(H,17,18);1H.
What are the key properties of N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride?
N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 331.87 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-methylpiperidin-4-yl)amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 120598256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).