(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

C21H25N3O2 — CID 42286968

IUPAC(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1C1CCC1
InChIInChI=1S/C21H25N3O2/c25-21(19-11-4-5-14-24(19)17-7-6-8-17)23-16-12-13-20(22-15-16)26-18-9-2-1-3-10-18/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,23,25)/t19-/m0/s1
InChIKeyHBPGYSGAUXCSQR-IBGZPJMESA-N
MW351.45 g/mol
LogP4.22
Rot. Bonds5

About (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide

(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (PubChem CID 42286968) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
PubChem CID42286968
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1C1CCC1
InChIInChI=1S/C21H25N3O2/c25-21(19-11-4-5-14-24(19)17-7-6-8-17)23-16-12-13-20(22-15-16)26-18-9-2-1-3-10-18/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,23,25)/t19-/m0/s1
InChIKeyHBPGYSGAUXCSQR-IBGZPJMESA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(6-phenoxy-3-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 42518595
(2R)-1-(1,2-oxazole-5-carbonyl)-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 97279481
1-[(1-ethylimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 56704411
(2S)-N-(6-phenoxy-3-pyridinyl)-1-[(2-propylpyrimidin-5-yl)methyl]piperidine-2-carboxamide
CID 42198878
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 45197081
(2S)-1-[(1-methylbenzimidazol-2-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide
CID 25274218
N-(6-phenoxy-3-pyridinyl)-1-(pyrazine-2-carbonyl)piperidine-4-carboxamide
CID 72851940
N-(6-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 119849166
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42101147
1-(furan-2-ylmethyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 24793063

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide (CID 42286968) is (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is O=C(Nc1ccc(Oc2ccccc2)nc1)[C@@H]1CCCCN1C1CCC1.
What is the InChIKey of (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
The InChIKey is HBPGYSGAUXCSQR-IBGZPJMESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(19-11-4-5-14-24(19)17-7-6-8-17)23-16-12-13-20(22-15-16)26-18-9-2-1-3-10-18/h1-3,9-10,12-13,15,17,19H,4-8,11,14H2,(H,23,25)/t19-/m0/s1.
What are the key properties of (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide?
(2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclobutyl-N-(6-phenoxy-3-pyridinyl)piperidine-2-carboxamide is sourced from PubChem (CID 42286968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).