1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride

C18H26ClN3O2 — CID 120556752

IUPAC1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-12-19-10-9-15(13)20-17(22)16-8-5-11-21(16)18(23)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,22);1H
InChIKeyBOBJMTNKUVOYTF-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.83
Rot. Bonds3

About 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride

1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120556752) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120556752
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CNCCC1NC(=O)C1CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-12-19-10-9-15(13)20-17(22)16-8-5-11-21(16)18(23)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,22);1H
InChIKeyBOBJMTNKUVOYTF-UHFFFAOYSA-N
XLogP1.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dichlorobenzoyl)-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120554488
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
(2S)-1-benzoyl-N-methoxypyrrolidine-2-carboxamide
CID 11345650
1-benzoyl-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503511
N-(3-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120553778
1-(3,4-dichlorobenzoyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide
CID 119453399
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
(2S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 92954382
1-(1,3-benzodioxole-5-carbonyl)-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119450444
(2S)-1-benzoylpyrrolidine-2-carboxylate
CID 6988238
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride (CID 120556752) is 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride is CC1CNCCC1NC(=O)C1CCCN1C(=O)c1ccccc1.Cl.
What is the InChIKey of 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BOBJMTNKUVOYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-12-19-10-9-15(13)20-17(22)16-8-5-11-21(16)18(23)14-6-3-2-4-7-14;/h2-4,6-7,13,15-16,19H,5,8-12H2,1H3,(H,20,22);1H.
What are the key properties of 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride?
1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-N-(3-methylpiperidin-4-yl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120556752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).