2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide

C21H27N3O2 — CID 95228012

IUPAC2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H27N3O2/c22-20(26)18-9-12-23-19(14-18)24-13-5-11-21(15-24,16-25)10-4-8-17-6-2-1-3-7-17/h1-3,6-7,9,12,14,25H,4-5,8,10-11,13,15-16H2,(H2,22,26)/t21-/m1/s1
InChIKeyNCXUTGUOSOKWQW-OAQYLSRUSA-N
MW353.47 g/mol
LogP2.78
Rot. Bonds7

About 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide

2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 95228012) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID95228012
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1
InChIInChI=1S/C21H27N3O2/c22-20(26)18-9-12-23-19(14-18)24-13-5-11-21(15-24,16-25)10-4-8-17-6-2-1-3-7-17/h1-3,6-7,9,12,14,25H,4-5,8,10-11,13,15-16H2,(H2,22,26)/t21-/m1/s1
InChIKeyNCXUTGUOSOKWQW-OAQYLSRUSA-N
XLogP2.78
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide with MolForge

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Related Compounds

[(3R)-3-(3-phenylpropyl)-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 95197853
[2-[3-(hydroxymethyl)-3-propylpiperidin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 70773679
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 95226937
2-[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 56757377
[1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 56759598
2-[6,6-bis(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]pyridine-4-carboxamide
CID 138380561
[(3S)-1-(4-aminopyrimidin-2-yl)-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 95208187
[3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 45195130
3-amino-1-(4-carbamoyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 107325196
2-[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 56756919
2-[(3S)-3-(hydroxymethyl)-3-(2-phenoxyethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 95191626
4-[3-(3-phenylpropyl)-3-(propoxymethyl)piperidin-1-yl]pyrimidin-2-amine
CID 155717540

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide (CID 95228012) is 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide is NC(=O)c1ccnc(N2CCC[C@](CO)(CCCc3ccccc3)C2)c1.
What is the InChIKey of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is NCXUTGUOSOKWQW-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H27N3O2/c22-20(26)18-9-12-23-19(14-18)24-13-5-11-21(15-24,16-25)10-4-8-17-6-2-1-3-7-17/h1-3,6-7,9,12,14,25H,4-5,8,10-11,13,15-16H2,(H2,22,26)/t21-/m1/s1.
What are the key properties of 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide?
2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(hydroxymethyl)-3-(3-phenylpropyl)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95228012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).