1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide

C18H25N3O3 — CID 97201978

IUPAC1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccn1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H25N3O3/c22-16(15-6-1-2-9-19-15)12-20-17(23)13-7-10-21(11-8-13)18(24)14-4-3-5-14/h1-2,6,9,13-14,16,22H,3-5,7-8,10-12H2,(H,20,23)/t16-/m0/s1
InChIKeyZHVCCCVLAMXNCK-INIZCTEOSA-N
MW331.42 g/mol
LogP1.27
Rot. Bonds5

About 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide

1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide (PubChem CID 97201978) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide
PubChem CID97201978
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide
SMILESO=C(NC[C@H](O)c1ccccn1)C1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C18H25N3O3/c22-16(15-6-1-2-9-19-15)12-20-17(23)13-7-10-21(11-8-13)18(24)14-4-3-5-14/h1-2,6,9,13-14,16,22H,3-5,7-8,10-12H2,(H,20,23)/t16-/m0/s1
InChIKeyZHVCCCVLAMXNCK-INIZCTEOSA-N
XLogP1.27
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclobutanecarbonyl)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]piperidine-4-carboxamide
CID 97206238
cyclobutyl-[4-[(2R)-2-pyridin-2-ylpiperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97113868
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
N-[(2S)-2-hydroxy-2-phenylethyl]cyclopentanecarboxamide
CID 93032915
N-pyridin-2-yl-1-(1-pyrimidin-2-ylpiperidine-3-carbonyl)piperidine-4-carboxamide
CID 55808596
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 46104007
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclobutanecarbonyl)piperidine-4-carboxamide
CID 72864947
1-(cyclobutanecarbonyl)-N-quinolin-8-ylpiperidine-4-carboxamide
CID 113008383
N-[phenyl(pyridin-2-yl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 126475743
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 111565698
1-(cyclobutanecarbonyl)-N-[(1-propylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72857945
N-[2-oxo-2-[[(1R)-1-pyridin-2-ylethyl]amino]ethyl]cyclohexanecarboxamide
CID 92829486

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide (CID 97201978) is 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide is O=C(NC[C@H](O)c1ccccn1)C1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide?
The InChIKey is ZHVCCCVLAMXNCK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H25N3O3/c22-16(15-6-1-2-9-19-15)12-20-17(23)13-7-10-21(11-8-13)18(24)14-4-3-5-14/h1-2,6,9,13-14,16,22H,3-5,7-8,10-12H2,(H,20,23)/t16-/m0/s1.
What are the key properties of 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide?
1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-N-[(2S)-2-hydroxy-2-pyridin-2-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 97201978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).