(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide

C18H21N5O3 — CID 7435428

IUPAC(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C18H21N5O3/c1-26-15-7-5-13(6-8-15)16(24)21-22-17(25)14-4-2-11-23(12-14)18-19-9-3-10-20-18/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyNLCVHMDNXXGORT-AWEZNQCLSA-N
MW355.40 g/mol
LogP1.16
Rot. Bonds4

About (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide

(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide (PubChem CID 7435428) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
PubChem CID7435428
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1
InChIInChI=1S/C18H21N5O3/c1-26-15-7-5-13(6-8-15)16(24)21-22-17(25)14-4-2-11-23(12-14)18-19-9-3-10-20-18/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1
InChIKeyNLCVHMDNXXGORT-AWEZNQCLSA-N
XLogP1.16
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3221424
N-[2-(4-methoxyphenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223369
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-pyrimidin-2-ylpiperidin-3-yl)methanone
CID 3223330
(3R)-N-(2,6-dimethoxyphenyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452473
(3S)-N-[(3-methoxyphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452514
(3R)-N-(6-methoxy-3-pyridinyl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 34970341
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
CID 134034978
(3R)-N-cyclopropyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 6557829
N'-(1,5-diphenyl-1,2,4-triazole-3-carbonyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide
CID 55576324
(3S)-N-[(4-methoxyphenyl)methyl]-1-(4-methylpyrimidin-2-yl)piperidine-3-carboxamide
CID 1452707
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831

Frequently Asked Questions

What is the IUPAC name of (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The IUPAC name of (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide (CID 7435428) is (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The canonical SMILES for (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide is COc1ccc(C(=O)NNC(=O)[C@H]2CCCN(c3ncccn3)C2)cc1.
What is the InChIKey of (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
The InChIKey is NLCVHMDNXXGORT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-26-15-7-5-13(6-8-15)16(24)21-22-17(25)14-4-2-11-23(12-14)18-19-9-3-10-20-18/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,24)(H,22,25)/t14-/m0/s1.
What are the key properties of (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide?
(3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide has a molecular weight of 355.40 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N'-(4-methoxybenzoyl)-1-pyrimidin-2-ylpiperidine-3-carbohydrazide is sourced from PubChem (CID 7435428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).