4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide

C22H27N3O3 — CID 97455589

IUPAC4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-28-20-9-4-3-7-18(20)24-22(27)25-13-10-17(11-14-25)21(26)19-8-5-6-12-23-19/h3-9,12,17,21,26H,1,10-11,13-15H2,2H3,(H,24,27)/t21-/m0/s1
InChIKeyDZQSCASVIHKHQM-NRFANRHFSA-N
MW381.48 g/mol
LogP4.01
Rot. Bonds6

About 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide

4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide (PubChem CID 97455589) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
PubChem CID97455589
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide
SMILESC=C(C)COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1
InChIInChI=1S/C22H27N3O3/c1-16(2)15-28-20-9-4-3-7-18(20)24-22(27)25-13-10-17(11-14-25)21(26)19-8-5-6-12-23-19/h3-9,12,17,21,26H,1,10-11,13-15H2,2H3,(H,24,27)/t21-/m0/s1
InChIKeyDZQSCASVIHKHQM-NRFANRHFSA-N
XLogP4.01
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(2-propan-2-ylsulfanylphenyl)piperidine-1-carboxamide
CID 97438061
N-(1,5-dimethylpyrazol-4-yl)-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125172195
(3S)-3-(dimethylamino)-N-[2-(2-methylprop-2-enoxy)phenyl]pyrrolidine-1-carboxamide
CID 97438370
2-[4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 124755383
2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 91839079
4-(3,6-dimethylpyrazin-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]piperazine-1-carboxamide
CID 72941426
4-[(R)-hydroxy(pyridin-2-yl)methyl]-N-(1H-indazol-7-yl)piperidine-1-carboxamide
CID 125154869
N-[4-(ethylcarbamoyl)phenyl]-4-[(S)-hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 125174868
N-[2-(cyclopropylmethoxy)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111453726
N-(4-chloro-3-methylphenyl)-4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carboxamide
CID 72853230
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 97443799

Frequently Asked Questions

What is the IUPAC name of 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide (CID 97455589) is 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide is C=C(C)COc1ccccc1NC(=O)N1CCC([C@H](O)c2ccccn2)CC1.
What is the InChIKey of 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is DZQSCASVIHKHQM-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-16(2)15-28-20-9-4-3-7-18(20)24-22(27)25-13-10-17(11-14-25)21(26)19-8-5-6-12-23-19/h3-9,12,17,21,26H,1,10-11,13-15H2,2H3,(H,24,27)/t21-/m0/s1.
What are the key properties of 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide?
4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(S)-hydroxy(pyridin-2-yl)methyl]-N-[2-(2-methylprop-2-enoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 97455589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).