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

C15H28ClN3O3 — CID 120947710

IUPAC1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NCC2CNCC2O)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-4-14(20)18-6-3-5-11(10-18)15(21)17-8-12-7-16-9-13(12)19;/h11-13,16,19H,2-10H2,1H3,(H,17,21);1H
InChIKeyXQZBJHMNTVPNLS-UHFFFAOYSA-N
MW333.86 g/mol
LogP0.14
Rot. Bonds5

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

1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 120947710) 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-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID120947710
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)NCC2CNCC2O)C1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-2-4-14(20)18-6-3-5-11(10-18)15(21)17-8-12-7-16-9-13(12)19;/h11-13,16,19H,2-10H2,1H3,(H,17,21);1H
InChIKeyXQZBJHMNTVPNLS-UHFFFAOYSA-N
XLogP0.14
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 ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide
CID 120946337
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide;hydrochloride
CID 120945996
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 120948550
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-2-carboxamide;hydrochloride
CID 120945107
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
methyl 3-[(1-butanoylpiperidine-3-carbonyl)amino]propanoate
CID 60527593
1-butanoyl-N-[(2-hydroxycyclopentyl)methyl]piperidine-4-carboxamide
CID 111471288
1-(3-aminopropanoyl)-N-propylpiperidine-3-carboxamide;hydrochloride
CID 119311754
2-[2-[(1-butanoylpiperidine-3-carbonyl)amino]ethylsulfanyl]acetic acid
CID 119242681
(3S)-1-butanoyl-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-3-carboxamide
CID 94648221
1-butanoyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidine-3-carboxamide
CID 47065746

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride (CID 120947710) is 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride is CCCC(=O)N1CCCC(C(=O)NCC2CNCC2O)C1.Cl.
What is the InChIKey of 1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is XQZBJHMNTVPNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-2-4-14(20)18-6-3-5-11(10-18)15(21)17-8-12-7-16-9-13(12)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-3-carboxamide;hydrochloride?
1-butanoyl-N-[(4-hydroxypyrrolidin-3-yl)methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.14, 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-3-carboxamide;hydrochloride is sourced from PubChem (CID 120947710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).