N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119436705

IUPACN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(NC(=O)C2CC2C)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-11-16(12)18(23)21-15-8-6-14(7-9-15)19(24)22-10-4-3-5-17(22)13(2)20;/h6-9,12-13,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H
InChIKeyZBSONYFZTANZEQ-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.04
Rot. Bonds4

About N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride

N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 119436705) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
PubChem CID119436705
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC NameN-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride
SMILESCC(N)C1CCCCN1C(=O)c1ccc(NC(=O)C2CC2C)cc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-12-11-16(12)18(23)21-15-8-6-14(7-9-15)19(24)22-10-4-3-5-17(22)13(2)20;/h6-9,12-13,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H
InChIKeyZBSONYFZTANZEQ-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119436674
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 119434986
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[2-(1-aminoethyl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119436639
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone
CID 124689263
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-[4-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methanone
CID 125153505
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 119435979
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N-(2-methylpropyl)benzenesulfonamide
CID 119436332
[2-(1-aminoethyl)piperidin-1-yl]-(2,4-dimethylphenyl)methanone;hydrochloride
CID 119436172
N-[4-[(2R)-2-methylpiperidine-1-carbonyl]phenyl]acetamide
CID 669487

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride (CID 119436705) is N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is CC(N)C1CCCCN1C(=O)c1ccc(NC(=O)C2CC2C)cc1.Cl.
What is the InChIKey of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is ZBSONYFZTANZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-12-11-16(12)18(23)21-15-8-6-14(7-9-15)19(24)22-10-4-3-5-17(22)13(2)20;/h6-9,12-13,16-17H,3-5,10-11,20H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride?
N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-2-methylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119436705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).