N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride

C18H26ClN3O2 — CID 119692939

IUPACN-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(20-12-14-4-2-1-3-5-14)15-7-10-21(11-8-15)18(23)16-6-9-19-13-16;/h1-5,15-16,19H,6-13H2,(H,20,22);1H
InChIKeyPGRVQNMHHKFRFL-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.57
Rot. Bonds4

About N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride

N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 119692939) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
PubChem CID119692939
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC NameN-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1)C1CCN(C(=O)C2CCNC2)CC1
InChIInChI=1S/C18H25N3O2.ClH/c22-17(20-12-14-4-2-1-3-5-14)15-7-10-21(11-8-15)18(23)16-6-9-19-13-16;/h1-5,15-16,19H,6-13H2,(H,20,22);1H
InChIKeyPGRVQNMHHKFRFL-UHFFFAOYSA-N
XLogP1.57
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-benzylpiperidine-4-carboxamide
CID 3868064
(4-phenylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 119703069
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-benzyl-1-(2,2-dichlorocyclopropanecarbonyl)piperidine-4-carboxamide
CID 24654786
N-benzyl-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119929795
1-(3-aminopropanoyl)-N-benzylpiperidine-4-carboxamide;hydrochloride
CID 119273066
N-benzyl-1-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperidine-4-carboxamide;hydrochloride
CID 120919828
1-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)-N-benzylpiperidine-4-carboxamide
CID 120984003
N-benzyl-1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113003928
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride (CID 119692939) is N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1)C1CCN(C(=O)C2CCNC2)CC1.
What is the InChIKey of N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is PGRVQNMHHKFRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c22-17(20-12-14-4-2-1-3-5-14)15-7-10-21(11-8-15)18(23)16-6-9-19-13-16;/h1-5,15-16,19H,6-13H2,(H,20,22);1H.
What are the key properties of N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride?
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119692939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).