N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

C19H28ClN3O3 — CID 120948550

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCC3CNCC3O)C2)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-4-6-14(7-5-13)19(25)22-8-2-3-15(12-22)18(24)21-10-16-9-20-11-17(16)23;/h4-7,15-17,20,23H,2-3,8-12H2,1H3,(H,21,24);1H
InChIKeyWTTJAUNSHDILMA-UHFFFAOYSA-N
MW381.90 g/mol
LogP0.97
Rot. Bonds4

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 120948550) has the molecular formula C19H28ClN3O3 and a molecular weight of 381.90 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
PubChem CID120948550
Molecular FormulaC19H28ClN3O3
Molecular Weight381.90 g/mol
Exact Mass381.18
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N2CCCC(C(=O)NCC3CNCC3O)C2)cc1.Cl
InChIInChI=1S/C19H27N3O3.ClH/c1-13-4-6-14(7-5-13)19(25)22-8-2-3-15(12-22)18(24)21-10-16-9-20-11-17(16)23;/h4-7,15-17,20,23H,2-3,8-12H2,1H3,(H,21,24);1H
InChIKeyWTTJAUNSHDILMA-UHFFFAOYSA-N
XLogP0.97
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.90
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
CID 120947710
1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120946337
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone;hydrochloride
CID 120656131
(3S)-1-(4-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257342
N-(4-iodophenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624039
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 120943334
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 120946839

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride (CID 120948550) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is Cc1ccc(C(=O)N2CCCC(C(=O)NCC3CNCC3O)C2)cc1.Cl.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is WTTJAUNSHDILMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3.ClH/c1-13-4-6-14(7-5-13)19(25)22-8-2-3-15(12-22)18(24)21-10-16-9-20-11-17(16)23;/h4-7,15-17,20,23H,2-3,8-12H2,1H3,(H,21,24);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 381.90 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120948550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).