1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

C19H28ClN3O2 — CID 119463342

IUPAC1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CCCNC2)CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-19(18(24)21-14-15-7-5-11-20-13-15)10-6-12-22(19)17(23)16-8-3-2-4-9-16;/h2-4,8-9,15,20H,5-7,10-14H2,1H3,(H,21,24);1H
InChIKeyAGOZKLRRNHXPHV-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.22
Rot. Bonds4

About 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride

1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119463342) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119463342
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC2CCCNC2)CCCN1C(=O)c1ccccc1.Cl
InChIInChI=1S/C19H27N3O2.ClH/c1-19(18(24)21-14-15-7-5-11-20-13-15)10-6-12-22(19)17(23)16-8-3-2-4-9-16;/h2-4,8-9,15,20H,5-7,10-14H2,1H3,(H,21,24);1H
InChIKeyAGOZKLRRNHXPHV-UHFFFAOYSA-N
XLogP2.22
TPSA61.44 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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
cyclopropylmethyl 2-[(1-benzoyl-2-methylpyrrolidine-2-carbonyl)amino]acetate
CID 56805895
1-ethylsulfonyl-4-phenyl-N-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 119464480
N-(3-aminopropyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119407893
1-benzoyl-3-methyl-N-(2-piperidin-3-ylethyl)piperidine-3-carboxamide
CID 119557726
N-(4-aminocyclohexyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119477845
N-(2-amino-1-cyclopropylethyl)-1-benzoyl-2-methylpyrrolidine-2-carboxamide
CID 119616462
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
2-(4-benzylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460597
2-phenyl-N-(piperidin-3-ylmethyl)oxane-3-carboxamide;hydrochloride
CID 119461036
4-(2-chlorophenyl)-N-(piperidin-3-ylmethyl)oxane-4-carboxamide
CID 119462852

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride (CID 119463342) is 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is CC1(C(=O)NCC2CCCNC2)CCCN1C(=O)c1ccccc1.Cl.
What is the InChIKey of 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is AGOZKLRRNHXPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2.ClH/c1-19(18(24)21-14-15-7-5-11-20-13-15)10-6-12-22(19)17(23)16-8-3-2-4-9-16;/h2-4,8-9,15,20H,5-7,10-14H2,1H3,(H,21,24);1H.
What are the key properties of 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride?
1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 365.91 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-methyl-N-(piperidin-3-ylmethyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119463342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).