N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

C19H24N4O3 — CID 91639402

IUPACN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H24N4O3/c24-13-16(12-14-4-2-1-3-5-14)20-19(26)15-8-10-23(11-9-15)17-6-7-18(25)22-21-17/h1-7,15-16,24H,8-13H2,(H,20,26)(H,22,25)/t16-/m0/s1
InChIKeyPZRIZXYMZFXGMN-INIZCTEOSA-N
MW356.43 g/mol
LogP0.71
Rot. Bonds6

About N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide

N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 91639402) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
PubChem CID91639402
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
SMILESO=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C19H24N4O3/c24-13-16(12-14-4-2-1-3-5-14)20-19(26)15-8-10-23(11-9-15)17-6-7-18(25)22-21-17/h1-7,15-16,24H,8-13H2,(H,20,26)(H,22,25)/t16-/m0/s1
InChIKeyPZRIZXYMZFXGMN-INIZCTEOSA-N
XLogP0.71
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]azetidine-3-carboxamide
CID 114010271
N-(1-hydroxy-3-phenylpropan-2-yl)cyclohex-3-ene-1-carboxamide
CID 63261072
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohex-3-ene-1-carboxamide
CID 107861462
(3S)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141325
(3R)-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 81141485
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide
CID 110210321
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-methylcyclohexane-1-carboxamide
CID 164537987
2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 114010079
benzyl 2-[4-(6-oxo-1H-pyridazin-3-yl)piperazin-1-yl]acetate
CID 155095919
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]oxane-3-carboxamide
CID 107861200

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide (CID 91639402) is N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is O=C(N[C@H](CO)Cc1ccccc1)C1CCN(c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is PZRIZXYMZFXGMN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N4O3/c24-13-16(12-14-4-2-1-3-5-14)20-19(26)15-8-10-23(11-9-15)17-6-7-18(25)22-21-17/h1-7,15-16,24H,8-13H2,(H,20,26)(H,22,25)/t16-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide?
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(6-oxo-1H-pyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 91639402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).