4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide

C29H32N4O2 — CID 25023858

IUPAC4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c30-26-3-1-2-4-27(26)32-29(35)24-11-9-21(10-12-24)22-15-17-33(18-16-22)19-20-5-7-23(8-6-20)28(34)31-25-13-14-25/h1-12,22,25H,13-19,30H2,(H,31,34)(H,32,35)
InChIKeyQBZHGWVJIIGZNU-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.79
Rot. Bonds7

About 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide

4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide (PubChem CID 25023858) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide
PubChem CID25023858
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC Name4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1
InChIInChI=1S/C29H32N4O2/c30-26-3-1-2-4-27(26)32-29(35)24-11-9-21(10-12-24)22-15-17-33(18-16-22)19-20-5-7-23(8-6-20)28(34)31-25-13-14-25/h1-12,22,25H,13-19,30H2,(H,31,34)(H,32,35)
InChIKeyQBZHGWVJIIGZNU-UHFFFAOYSA-N
XLogP4.79
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide (CID 25023858) is 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide is Nc1ccccc1NC(=O)c1ccc(C2CCN(Cc3ccc(C(=O)NC4CC4)cc3)CC2)cc1.
What is the InChIKey of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide?
The InChIKey is QBZHGWVJIIGZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c30-26-3-1-2-4-27(26)32-29(35)24-11-9-21(10-12-24)22-15-17-33(18-16-22)19-20-5-7-23(8-6-20)28(34)31-25-13-14-25/h1-12,22,25H,13-19,30H2,(H,31,34)(H,32,35).
What are the key properties of 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide?
4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide has a molecular weight of 468.60 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-[(2-aminophenyl)carbamoyl]phenyl]piperidin-1-yl]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 25023858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).