N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride

C17H24ClN3O2 — CID 119493216

IUPACN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-18-15-3-2-10-20(11-15)17(22)13-6-8-14(9-7-13)19-16(21)12-4-5-12;/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,21);1H
InChIKeyZZMAWFXLLLSSNY-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.28
Rot. Bonds4

About N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride

N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 119493216) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
PubChem CID119493216
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-18-15-3-2-10-20(11-15)17(22)13-6-8-14(9-7-13)19-16(21)12-4-5-12;/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,21);1H
InChIKeyZZMAWFXLLLSSNY-UHFFFAOYSA-N
XLogP2.28
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
N-[4-(4-acetyl-1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 134061665
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
N-[4-(1,4-diazepane-1-carbonyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119418264
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
N-[4-(carbamoylamino)phenyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55627027
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-2-thiophen-2-ylsulfanylacetamide;hydrochloride
CID 119488912
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
[(3R)-3-(methylamino)piperidin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 124575021

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride (CID 119493216) is N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1.Cl.
What is the InChIKey of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is ZZMAWFXLLLSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-18-15-3-2-10-20(11-15)17(22)13-6-8-14(9-7-13)19-16(21)12-4-5-12;/h6-9,12,15,18H,2-5,10-11H2,1H3,(H,19,21);1H.
What are the key properties of N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride?
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 119493216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).