N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide

C19H23N3O — CID 25460236

IUPACN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(17-8-11-20-12-9-17)21-18-7-4-13-22(15-18)14-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H,21,23)/t18-/m0/s1
InChIKeyQSCHDUSBRGDZGJ-SFHVURJKSA-N
MW309.41 g/mol
LogP2.52
Rot. Bonds5

About N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide

N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide (PubChem CID 25460236) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
PubChem CID25460236
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
SMILESO=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccncc1
InChIInChI=1S/C19H23N3O/c23-19(17-8-11-20-12-9-17)21-18-7-4-13-22(15-18)14-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H,21,23)/t18-/m0/s1
InChIKeyQSCHDUSBRGDZGJ-SFHVURJKSA-N
XLogP2.52
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[1-(2-phenylethyl)piperidin-3-yl]benzamide
CID 45205527
1-methyl-6-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]pyridazine-3-carboxamide
CID 45229509
(3R)-N-phenyl-1-(2-pyridin-4-ylethyl)piperidin-3-amine
CID 124590956
N-methyl-N-[1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide
CID 45230724
N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]-2-pyridin-2-ylsulfanylacetamide
CID 26403604
N-[1-(2-phenylethyl)piperidin-3-yl]-3-pyridin-2-ylpropanamide
CID 45227413
4-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]-3H-phthalazine-1-carboxamide
CID 45178007
2-amino-6-methyl-N-[(3R)-1-(2-phenylethyl)piperidin-3-yl]pyrimidine-4-carboxamide
CID 42309159
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1H-indole-3-carboxamide
CID 42512291
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
methyl 3-[[(3S)-1-(3-phenylpropyl)piperidin-3-yl]carbamoyl]benzoate
CID 25486979
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-3-(1,2,4-triazol-1-yl)propanamide
CID 25378372

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide (CID 25460236) is N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide is O=C(N[C@H]1CCCN(CCc2ccccc2)C1)c1ccncc1.
What is the InChIKey of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is QSCHDUSBRGDZGJ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(17-8-11-20-12-9-17)21-18-7-4-13-22(15-18)14-10-16-5-2-1-3-6-16/h1-3,5-6,8-9,11-12,18H,4,7,10,13-15H2,(H,21,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide?
N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 25460236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).