[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone

C24H29N3O4 — CID 53391837

IUPAC[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3O)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-20-6-4-17(5-7-20)23(29)18-8-12-26(13-9-18)21-10-14-27(16-22(21)28)24(30)19-3-2-11-25-15-19/h2-7,11,15,18,21-22,28H,8-10,12-14,16H2,1H3/t21-,22-/m0/s1
InChIKeyOHLBGXGTXMIMTI-VXKWHMMOSA-N
MW423.51 g/mol
LogP2.26
Rot. Bonds5

About [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone

[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone (PubChem CID 53391837) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
PubChem CID53391837
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC Name[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3O)CC2)cc1
InChIInChI=1S/C24H29N3O4/c1-31-20-6-4-17(5-7-20)23(29)18-8-12-26(13-9-18)21-10-14-27(16-22(21)28)24(30)19-3-2-11-25-15-19/h2-7,11,15,18,21-22,28H,8-10,12-14,16H2,1H3/t21-,22-/m0/s1
InChIKeyOHLBGXGTXMIMTI-VXKWHMMOSA-N
XLogP2.26
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone
CID 9579331
4-Acetyl-3-hydroxy-5-(4-methoxy-phenyl)-1-pyridin-3-ylmethyl-1,5-dihydro-pyrrol-2-one
CID 3141388
N-(1-(4-fluorobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710269
N-(1-(4-aminobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710436
N-(1-(4-acetamidobenzyl) piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)nicotinamide
CID 66710516
6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-(1-(4-methoxybenzyl) piperidin-4-yl)nicotinamide
CID 66710519
N-(1-(4-cyanobenzyl)piperidin-4-yl)-6-(4-(4-methoxybenzoyl) piperidine-1-carbonyl)-N-methylnicotinamide
CID 66710664
3-hydroxy-5-(4-isopropoxyphenyl)-4-(5-methylfuran-2-carbonyl)-1-(pyridin-3-ylmethyl)-1H-pyrrol-2(5H)-one
CID 2951459
(4-Methoxyphenyl)-[9-(pyridin-4-ylmethyl)-3,9-diazaspiro[5.5]undecan-3-yl]methanone
CID 3233638
(4-Methoxyphenyl)-(2-pyridin-4-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234525
(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(E)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone
CID 5496118
N-(1-cyclopropylethyl)-4-{[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]oxy}benzamide
CID 16188514

Frequently Asked Questions

What is the IUPAC name of [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone (CID 53391837) is [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)C2CCN([C@H]3CCN(C(=O)c4cccnc4)C[C@@H]3O)CC2)cc1.
What is the InChIKey of [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
The InChIKey is OHLBGXGTXMIMTI-VXKWHMMOSA-N. The full InChI is InChI=1S/C24H29N3O4/c1-31-20-6-4-17(5-7-20)23(29)18-8-12-26(13-9-18)21-10-14-27(16-22(21)28)24(30)19-3-2-11-25-15-19/h2-7,11,15,18,21-22,28H,8-10,12-14,16H2,1H3/t21-,22-/m0/s1.
What are the key properties of [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone?
[1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone has a molecular weight of 423.51 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3S,4S)-3-hydroxy-1-(pyridine-3-carbonyl)piperidin-4-yl]piperidin-4-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 53391837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).