4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide

C20H25N5O2 — CID 11280085

IUPAC4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
SMILESNNC(=O)Nc1cc(C(N)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-6-7-18(17(13-16)23-20(27)24-22)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,22H2,(H2,21,26)(H2,23,24,27)
InChIKeyRHLGYRQONQWSMA-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.24
Rot. Bonds5

About 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide

4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide (PubChem CID 11280085) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
PubChem CID11280085
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide
SMILESNNC(=O)Nc1cc(C(N)=O)ccc1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N5O2/c21-19(26)16-6-7-18(17(13-16)23-20(27)24-22)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,22H2,(H2,21,26)(H2,23,24,27)
InChIKeyRHLGYRQONQWSMA-UHFFFAOYSA-N
XLogP2.24
TPSA113.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide (CID 11280085) is 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide is NNC(=O)Nc1cc(C(N)=O)ccc1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide?
The InChIKey is RHLGYRQONQWSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c21-19(26)16-6-7-18(17(13-16)23-20(27)24-22)25-10-8-15(9-11-25)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12,22H2,(H2,21,26)(H2,23,24,27).
What are the key properties of 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide?
4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.24, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)-3-(hydrazinecarbonylamino)benzamide is sourced from PubChem (CID 11280085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).