1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride

C15H28ClN3O3 — CID 120945107

IUPAC1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-5-14(20)18-7-4-3-6-12(18)15(21)17-9-11-8-16-10-13(11)19;/h11-13,16,19H,2-10H2,1H3,(H,17,21);1H
InChIKeyUYVRLTLTNMEHPY-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.29
Rot. Bonds5

About 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride

1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 120945107) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID120945107
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)NCC1CNCC1O.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-5-14(20)18-7-4-3-6-12(18)15(21)17-9-11-8-16-10-13(11)19;/h11-13,16,19H,2-10H2,1H3,(H,17,21);1H
InChIKeyUYVRLTLTNMEHPY-UHFFFAOYSA-N
XLogP0.29
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.29
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-butanoyl-N-(2-piperidin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119555253
1-butanoyl-N-(2-pyrrolidin-3-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119533681
1-butanoyl-N-(3-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 120555744
1-benzyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 120947149
1-butanoyl-N-methylpyrrolidine-2-carboxamide
CID 61060939
1-(2,4-dimethoxybenzoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 120945991
1-butanoyl-N-(2-piperidin-3-ylethyl)pyrrolidine-2-carboxamide
CID 119555252
(2S)-1-butanoyl-N-cyclopropylpyrrolidine-2-carboxamide
CID 142833452
3-[(1-butanoylpiperidine-2-carbonyl)amino]butanoic acid
CID 119221180
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-thiophen-2-ylsulfonylpiperidine-2-carboxamide;hydrochloride
CID 120945882
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
CID 97338754

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride (CID 120945107) is 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride is CCCC(=O)N1CCCCC1C(=O)NCC1CNCC1O.Cl.
What is the InChIKey of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is UYVRLTLTNMEHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-2-5-14(20)18-7-4-3-6-12(18)15(21)17-9-11-8-16-10-13(11)19;/h11-13,16,19H,2-10H2,1H3,(H,17,21);1H.
What are the key properties of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride?
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120945107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).