(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide

C22H25N3O4 — CID 9274909

IUPAC(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
SMILESCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O4/c1-16(26)25-13-5-6-19(14-25)22(28)24-23-21(27)18-11-9-17(10-12-18)15-29-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyCIZHKVFAMMJADC-IBGZPJMESA-N
MW395.46 g/mol
LogP2.29
Rot. Bonds5

About (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide

(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide (PubChem CID 9274909) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
PubChem CID9274909
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide
SMILESCC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)C1
InChIInChI=1S/C22H25N3O4/c1-16(26)25-13-5-6-19(14-25)22(28)24-23-21(27)18-11-9-17(10-12-18)15-29-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1
InChIKeyCIZHKVFAMMJADC-IBGZPJMESA-N
XLogP2.29
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
[3-(methylamino)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 119490079
1-acetyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 42961707
1-[4-(phenoxymethyl)benzoyl]-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 55960033
(3R)-1-acetyl-N-(2-phenylmethoxyethyl)piperidine-3-carboxamide
CID 97197580
N'-(4-chlorobenzoyl)-1-(2-phenylacetyl)piperidine-3-carbohydrazide
CID 46407573
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
[1-[4-(phenoxymethyl)benzoyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134041883
azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
(3S)-3-[[(4-methylbenzoyl)amino]carbamoyl]piperidine-1-carboxamide
CID 9086796
(3R)-1-[4-(phenoxymethyl)benzoyl]pyrrolidine-3-carboxylic acid
CID 125135118
N'-[4-[(4-chlorophenoxy)methyl]benzoyl]-1-pyrazin-2-ylpiperidine-3-carbohydrazide
CID 46573281

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide (CID 9274909) is (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide is CC(=O)N1CCC[C@H](C(=O)NNC(=O)c2ccc(COc3ccccc3)cc2)C1.
What is the InChIKey of (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide?
The InChIKey is CIZHKVFAMMJADC-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25N3O4/c1-16(26)25-13-5-6-19(14-25)22(28)24-23-21(27)18-11-9-17(10-12-18)15-29-20-7-3-2-4-8-20/h2-4,7-12,19H,5-6,13-15H2,1H3,(H,23,27)(H,24,28)/t19-/m0/s1.
What are the key properties of (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide?
(3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide has a molecular weight of 395.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N'-[4-(phenoxymethyl)benzoyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 9274909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).