N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide

C24H29N3O4 — CID 171915150

IUPACN-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
SMILESCc1cncc(C(=O)N2CC[C@](NC(=O)C3CCOCC3)(c3ccccc3)[C@H](O)C2)c1
InChIInChI=1S/C24H29N3O4/c1-17-13-19(15-25-14-17)23(30)27-10-9-24(21(28)16-27,20-5-3-2-4-6-20)26-22(29)18-7-11-31-12-8-18/h2-6,13-15,18,21,28H,7-12,16H2,1H3,(H,26,29)/t21-,24+/m1/s1
InChIKeyZQGALJHUSNPQOV-QPPBQGQZSA-N
MW423.51 g/mol
LogP2.04
Rot. Bonds4

About N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide

N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide (PubChem CID 171915150) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
PubChem CID171915150
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
SMILESCc1cncc(C(=O)N2CC[C@](NC(=O)C3CCOCC3)(c3ccccc3)[C@H](O)C2)c1
InChIInChI=1S/C24H29N3O4/c1-17-13-19(15-25-14-17)23(30)27-10-9-24(21(28)16-27,20-5-3-2-4-6-20)26-22(29)18-7-11-31-12-8-18/h2-6,13-15,18,21,28H,7-12,16H2,1H3,(H,26,29)/t21-,24+/m1/s1
InChIKeyZQGALJHUSNPQOV-QPPBQGQZSA-N
XLogP2.04
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3R,4R)-3-hydroxy-1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide
CID 171914481
N-[(3R,4R)-3-hydroxy-1-(4-methyl-1,3-oxazole-5-carbonyl)-4-phenylpiperidin-4-yl]thiophene-3-carboxamide
CID 171915400
N-[(3R,4R)-3-hydroxy-4-phenyl-1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 171908992
[(5S,6S)-6-hydroxy-1-methylsulfonyl-1,8-diazaspiro[4.5]decan-8-yl]-(5-methyl-3-pyridinyl)methanone
CID 110156170
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
4-benzyl-3-ethyl-1-(5-methylpyridine-3-carbonyl)-1,4-diazepan-5-one
CID 56874142
4-chloro-N-[(3R,4S)-3-hydroxy-1-(3-methyloxetane-3-carbonyl)-4-phenylpiperidin-4-yl]benzamide
CID 171388963
2-(3-fluoro-4-methylphenyl)-N-[(3R,4S)-3-hydroxy-1-(1,3-oxazole-4-carbonyl)-4-phenylpiperidin-4-yl]acetamide
CID 171915268
N-cyclopropyl-5-methyl-N-[1-(5-methylpyridine-3-carbonyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 127738758
(3-hydroxy-4,4-dimethylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 115269846
N-[(3S)-1-benzoylpiperidin-3-yl]oxane-4-carboxamide
CID 95567400
(3R,4S)-4-hydroxy-1-(5-methylpyridine-3-carbonyl)-3-(3-phenylpropyl)piperidine-3-carboxylic acid
CID 155916738

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide (CID 171915150) is N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide is Cc1cncc(C(=O)N2CC[C@](NC(=O)C3CCOCC3)(c3ccccc3)[C@H](O)C2)c1.
What is the InChIKey of N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide?
The InChIKey is ZQGALJHUSNPQOV-QPPBQGQZSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-17-13-19(15-25-14-17)23(30)27-10-9-24(21(28)16-27,20-5-3-2-4-6-20)26-22(29)18-7-11-31-12-8-18/h2-6,13-15,18,21,28H,7-12,16H2,1H3,(H,26,29)/t21-,24+/m1/s1.
What are the key properties of N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide?
N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxy-1-(5-methylpyridine-3-carbonyl)-4-phenylpiperidin-4-yl]oxane-4-carboxamide is sourced from PubChem (CID 171915150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).