N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide

C27H38N6O2 — CID 112829656

IUPACN-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C27H38N6O2/c34-26(29-23-8-3-1-4-9-23)22-32-16-12-24(13-17-32)30-27(35)28-14-7-15-31-18-20-33(21-19-31)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2,(H,29,34)(H2,28,30,35)
InChIKeyPVRWJHZDROFVFD-UHFFFAOYSA-N
MW478.64 g/mol
LogP2.60
Rot. Bonds9

About N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide

N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide (PubChem CID 112829656) has the molecular formula C27H38N6O2 and a molecular weight of 478.64 g/mol. Its IUPAC name is N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide
PubChem CID112829656
Molecular FormulaC27H38N6O2
Molecular Weight478.64 g/mol
Exact Mass478.31
IUPAC NameN-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CC1)Nc1ccccc1
InChIInChI=1S/C27H38N6O2/c34-26(29-23-8-3-1-4-9-23)22-32-16-12-24(13-17-32)30-27(35)28-14-7-15-31-18-20-33(21-19-31)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2,(H,29,34)(H2,28,30,35)
InChIKeyPVRWJHZDROFVFD-UHFFFAOYSA-N
XLogP2.60
TPSA79.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.64
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-3-[3-(4-phenylpiperazin-1-yl)propyl]urea
CID 22430326
N-cyclopropyl-2-(4-phenylpiperazin-1-yl)acetamide
CID 6468807
2-[4-(oxolan-2-ylmethylcarbamoylamino)piperidin-1-yl]-N-phenylacetamide
CID 86992700
N-[1-(4-anilino-4-oxobutyl)piperidin-4-yl]benzamide
CID 57114875
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 16589812
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
2-(cyclopropylmethylamino)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide;trihydrochloride
CID 119901944
1-(3-ethylsulfanylpropyl)-3-(1-phenylpiperidin-4-yl)urea
CID 100728941
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-cyclopentyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]benzamide
CID 8688467
2-methyl-1-[4-(4-phenylpiperazin-1-yl)butyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111017977

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide?
The IUPAC name of N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide (CID 112829656) is N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide?
The canonical SMILES for N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide is O=C(CN1CCC(NC(=O)NCCCN2CCN(c3ccccc3)CC2)CC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide?
The InChIKey is PVRWJHZDROFVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O2/c34-26(29-23-8-3-1-4-9-23)22-32-16-12-24(13-17-32)30-27(35)28-14-7-15-31-18-20-33(21-19-31)25-10-5-2-6-11-25/h1-6,8-11,24H,7,12-22H2,(H,29,34)(H2,28,30,35).
What are the key properties of N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide?
N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide has a molecular weight of 478.64 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-[4-[3-(4-phenylpiperazin-1-yl)propylcarbamoylamino]piperidin-1-yl]acetamide is sourced from PubChem (CID 112829656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).