N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride

C21H27Cl2N5O3 — CID 120603961

IUPACN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C21H25N5O3.2ClH/c22-9-12-24-20(28)17-5-1-2-6-18(17)25-19(27)16-4-3-13-26(14-16)21(29)15-7-10-23-11-8-15;;/h1-2,5-8,10-11,16H,3-4,9,12-14,22H2,(H,24,28)(H,25,27);2*1H
InChIKeySLOUKXTVTPDXJM-UHFFFAOYSA-N
MW468.39 g/mol
LogP2.10
Rot. Bonds6

About N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride

N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride (PubChem CID 120603961) has the molecular formula C21H27Cl2N5O3 and a molecular weight of 468.39 g/mol. Its IUPAC name is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
PubChem CID120603961
Molecular FormulaC21H27Cl2N5O3
Molecular Weight468.39 g/mol
Exact Mass467.15
IUPAC NameN-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NCCNC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2ccncc2)C1
InChIInChI=1S/C21H25N5O3.2ClH/c22-9-12-24-20(28)17-5-1-2-6-18(17)25-19(27)16-4-3-13-26(14-16)21(29)15-7-10-23-11-8-15;;/h1-2,5-8,10-11,16H,3-4,9,12-14,22H2,(H,24,28)(H,25,27);2*1H
InChIKeySLOUKXTVTPDXJM-UHFFFAOYSA-N
XLogP2.10
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
N-(2-aminoethyl)-2-(cyclohexanecarbonylamino)benzamide;hydrochloride
CID 120604417
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 136529041
1-(4-acetylbenzoyl)-N-(2-aminoethyl)piperidine-3-carboxamide;hydrochloride
CID 119479334
N-(2-aminoethyl)-1-(2-methylpyridine-3-carbonyl)piperidine-3-carboxamide;dihydrochloride
CID 119480906
N-(2-aminoethyl)-1-(2-iodobenzoyl)piperidine-3-carboxamide
CID 63251979
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 99970188
N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
N-[2-(methylamino)ethyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 119500246

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride (CID 120603961) is N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride is Cl.Cl.NCCNC(=O)c1ccccc1NC(=O)C1CCCN(C(=O)c2ccncc2)C1.
What is the InChIKey of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
The InChIKey is SLOUKXTVTPDXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3.2ClH/c22-9-12-24-20(28)17-5-1-2-6-18(17)25-19(27)16-4-3-13-26(14-16)21(29)15-7-10-23-11-8-15;;/h1-2,5-8,10-11,16H,3-4,9,12-14,22H2,(H,24,28)(H,25,27);2*1H.
What are the key properties of N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride?
N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride has a molecular weight of 468.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethylcarbamoyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120603961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).