2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride

C18H26ClN3O2 — CID 119288335

IUPAC2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-6-15(13)17(22)20-14-8-11-21(12-9-14)18(23)16-7-4-10-19-16;/h2-3,5-6,14,16,19H,4,7-12H2,1H3,(H,20,22);1H
InChIKeyBENLISIHYIEERG-UHFFFAOYSA-N
MW351.88 g/mol
LogP1.89
Rot. Bonds3

About 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride

2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride (PubChem CID 119288335) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
PubChem CID119288335
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)C2CCCN2)CC1.Cl
InChIInChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-6-15(13)17(22)20-14-8-11-21(12-9-14)18(23)16-7-4-10-19-16;/h2-3,5-6,14,16,19H,4,7-12H2,1H3,(H,20,22);1H
InChIKeyBENLISIHYIEERG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 110822504
N-cyclopropyl-2-methylbenzamide;hydrochloride
CID 162767207
1-phenyl-3-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]urea
CID 119304245
2-[4-[(2-methylbenzoyl)amino]piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 119180811
N,N-dimethyl-4-[(2-methylbenzoyl)amino]piperidine-1-carboxamide
CID 108562715
2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108557648
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119311727
N-(1-cyclopropylpiperidin-4-yl)-2-methylbenzamide
CID 39974888
N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119276101
N-[2-(cyclopropylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18073010
2-(2-methylphenyl)-1-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119311728
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride?
The IUPAC name of 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride (CID 119288335) is 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride is Cc1ccccc1C(=O)NC1CCN(C(=O)C2CCCN2)CC1.Cl.
What is the InChIKey of 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride?
The InChIKey is BENLISIHYIEERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2.ClH/c1-13-5-2-3-6-15(13)17(22)20-14-8-11-21(12-9-14)18(23)16-7-4-10-19-16;/h2-3,5-6,14,16,19H,4,7-12H2,1H3,(H,20,22);1H.
What are the key properties of 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride?
2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride has a molecular weight of 351.88 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(pyrrolidine-2-carbonyl)piperidin-4-yl]benzamide;hydrochloride is sourced from PubChem (CID 119288335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).