N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride

C15H24ClN3O2S — CID 119397628

IUPACN-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCNC(=O)c2ccsc2)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-16-9-12-3-2-7-18(10-12)14(19)4-6-17-15(20)13-5-8-21-11-13;/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3,(H,17,20);1H
InChIKeyHQLVHMPBYFGKCF-UHFFFAOYSA-N
MW345.90 g/mol
LogP1.75
Rot. Bonds6

About N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride

N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride (PubChem CID 119397628) has the molecular formula C15H24ClN3O2S and a molecular weight of 345.90 g/mol. Its IUPAC name is N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
PubChem CID119397628
Molecular FormulaC15H24ClN3O2S
Molecular Weight345.90 g/mol
Exact Mass345.13
IUPAC NameN-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
SMILESCNCC1CCCN(C(=O)CCNC(=O)c2ccsc2)C1.Cl
InChIInChI=1S/C15H23N3O2S.ClH/c1-16-9-12-3-2-7-18(10-12)14(19)4-6-17-15(20)13-5-8-21-11-13;/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3,(H,17,20);1H
InChIKeyHQLVHMPBYFGKCF-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.90
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[3-(hydroxymethyl)piperidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide
CID 110886904
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
1-[3-(thiophene-3-carbonylamino)propanoyl]piperidine-3-carboxylic acid
CID 43355929
N-[3-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 62370593
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
(3S)-1-[4-(thiophene-3-carbonylamino)butanoyl]piperidine-3-carboxylic acid
CID 119174270
N-(3-oxo-3-piperazin-1-ylpropyl)thiophene-3-carboxamide
CID 119402669
1-[3-(thiophene-3-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355708
N-[3-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide
CID 79028955
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride (CID 119397628) is N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride is CNCC1CCCN(C(=O)CCNC(=O)c2ccsc2)C1.Cl.
What is the InChIKey of N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
The InChIKey is HQLVHMPBYFGKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2S.ClH/c1-16-9-12-3-2-7-18(10-12)14(19)4-6-17-15(20)13-5-8-21-11-13;/h5,8,11-12,16H,2-4,6-7,9-10H2,1H3,(H,17,20);1H.
What are the key properties of N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride?
N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride has a molecular weight of 345.90 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119397628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).