N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide

C20H21ClFN3O2 — CID 3536856

IUPACN'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClFN3O2/c21-17-5-2-4-16(12-17)20(27)24-23-19(26)15-7-9-25(10-8-15)13-14-3-1-6-18(22)11-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,24,27)
InChIKeyOCRVTCDQNWEIIW-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.15
Rot. Bonds4

About N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide

N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide (PubChem CID 3536856) has the molecular formula C20H21ClFN3O2 and a molecular weight of 389.86 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide
PubChem CID3536856
Molecular FormulaC20H21ClFN3O2
Molecular Weight389.86 g/mol
Exact Mass389.13
IUPAC NameN'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide
SMILESO=C(NNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C20H21ClFN3O2/c21-17-5-2-4-16(12-17)20(27)24-23-19(26)15-7-9-25(10-8-15)13-14-3-1-6-18(22)11-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,24,27)
InChIKeyOCRVTCDQNWEIIW-UHFFFAOYSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2r)-2-Amino-3-(3-Chlorophenyl)-1-[4-(2,5-Difluorobenzoyl)piperazin-1-Yl]propan-1-One
CID 53249967
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-phenylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256764
1-(3-Chlorobenzoyl)-4-(2-fluorobenzoyl)piperazine
CID 660542
4-chloro-N-(2,6-dioxopiperidin-1-yl)-N-[(2-fluorophenyl)methyl]benzamide
CID 2233946
N'-benzoyl-N-tert-butyl-3-chlorobenzohydrazide
CID 14626541
1-(3-Chlorobenzoyl)-4-(2-fluorobenzyl)piperazine
CID 717254
N'-{[1-(3,4-dichlorobenzyl)-4-piperidinyl]carbonyl}-4-methylbenzenecarbohydrazide
CID 1485113
N'-[(1-benzyl-4-piperidinyl)carbonyl]-3-chlorobenzenecarbohydrazide
CID 3465910
N'-[(1-benzyl-4-piperidinyl)carbonyl]-4-methylbenzenecarbohydrazide
CID 3809276
(3,4-Dichlorophenyl)-[4-[[(3-fluorophenyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10500880
4-chloro-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]benzamide;hydrochloride
CID 15945083
2-(5-chloro-2-fluorophenyl)-N-(piperidin-4-ylmethyl)benzamide
CID 46871665

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide (CID 3536856) is N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide is O=C(NNC(=O)C1CCN(Cc2cccc(F)c2)CC1)c1cccc(Cl)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide?
The InChIKey is OCRVTCDQNWEIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN3O2/c21-17-5-2-4-16(12-17)20(27)24-23-19(26)15-7-9-25(10-8-15)13-14-3-1-6-18(22)11-14/h1-6,11-12,15H,7-10,13H2,(H,23,26)(H,24,27).
What are the key properties of N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide?
N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide has a molecular weight of 389.86 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-1-[(3-fluorophenyl)methyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 3536856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).