N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride

C19H30Cl2N4O2 — CID 119885582

IUPACN-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCCC1)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(21-10-13-23-11-1-2-12-23)15-5-7-17(8-6-15)22-19(25)16-4-3-9-20-14-16;;/h5-8,16,20H,1-4,9-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyJBEUXOWPSHNGGX-UHFFFAOYSA-N
MW417.38 g/mol
LogP2.29
Rot. Bonds6

About N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride

N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119885582) has the molecular formula C19H30Cl2N4O2 and a molecular weight of 417.38 g/mol. Its IUPAC name is N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119885582
Molecular FormulaC19H30Cl2N4O2
Molecular Weight417.38 g/mol
Exact Mass416.17
IUPAC NameN-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCN1CCCC1)c1ccc(NC(=O)C2CCCNC2)cc1
InChIInChI=1S/C19H28N4O2.2ClH/c24-18(21-10-13-23-11-1-2-12-23)15-5-7-17(8-6-15)22-19(25)16-4-3-9-20-14-16;;/h5-8,16,20H,1-4,9-14H2,(H,21,24)(H,22,25);2*1H
InChIKeyJBEUXOWPSHNGGX-UHFFFAOYSA-N
XLogP2.29
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(propylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119297921
N-[4-(2-phenylethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119303511
(2R)-N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-2-carboxamide
CID 119885587
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
4-(cyclobutanecarbonylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 48581633
N-[4-[(2-piperidin-1-ylacetyl)amino]phenyl]piperidine-3-carboxamide;dihydrochloride
CID 154915036
N-[4-(phenylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119307803
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[4-(ethylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119714145
N-[2-[(4-fluorobenzoyl)amino]ethyl]piperidine-3-carboxamide;hydrochloride
CID 119299562
N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 60927369

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride (CID 119885582) is N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCN1CCCC1)c1ccc(NC(=O)C2CCCNC2)cc1.
What is the InChIKey of N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is JBEUXOWPSHNGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2.2ClH/c24-18(21-10-13-23-11-1-2-12-23)15-5-7-17(8-6-15)22-19(25)16-4-3-9-20-14-16;;/h5-8,16,20H,1-4,9-14H2,(H,21,24)(H,22,25);2*1H.
What are the key properties of N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride?
N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 417.38 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119885582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).