4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide

C32H46N6O2 — CID 124530236

IUPAC4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
SMILESCC1(C)C[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C32H46N6O2/c1-31(2)22-26(34-30(40)38-20-16-36(17-21-38)28-12-8-5-9-13-28)23-32(3,24-31)25-33-29(39)37-18-14-35(15-19-37)27-10-6-4-7-11-27/h4-13,26H,14-25H2,1-3H3,(H,33,39)(H,34,40)/t26-,32-/m0/s1
InChIKeyDFOPGGAZMWMGDN-IEWVHIKDSA-N
MW546.76 g/mol
LogP4.64
Rot. Bonds5

About 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide

4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide (PubChem CID 124530236) has the molecular formula C32H46N6O2 and a molecular weight of 546.76 g/mol. Its IUPAC name is 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
PubChem CID124530236
Molecular FormulaC32H46N6O2
Molecular Weight546.76 g/mol
Exact Mass546.37
IUPAC Name4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide
SMILESCC1(C)C[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C32H46N6O2/c1-31(2)22-26(34-30(40)38-20-16-36(17-21-38)28-12-8-5-9-13-28)23-32(3,24-31)25-33-29(39)37-18-14-35(15-19-37)27-10-6-4-7-11-27/h4-13,26H,14-25H2,1-3H3,(H,33,39)(H,34,40)/t26-,32-/m0/s1
InChIKeyDFOPGGAZMWMGDN-IEWVHIKDSA-N
XLogP4.64
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.76
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide 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

N-(1-adamantylmethyl)-4-phenylpiperazine-1-carboxamide
CID 8669555
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea
CID 154834109
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-[(3S)-1,1-dioxothiolan-3-yl]-4-phenylpiperazine-1-carboxamide
CID 94017270
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-(3,3,5,5-tetramethylcyclohexyl)pyrrolidine-1-carboxamide
CID 113353990
N-[(1-phenylcyclopropyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 30303440
1-pyridin-2-yl-3-[[(1R,5R)-1,3,3-trimethyl-5-(pyridin-2-ylcarbamoylamino)cyclohexyl]methyl]urea
CID 40518124

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide (CID 124530236) is 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide is CC1(C)C[C@H](NC(=O)N2CCN(c3ccccc3)CC2)C[C@](C)(CNC(=O)N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide?
The InChIKey is DFOPGGAZMWMGDN-IEWVHIKDSA-N. The full InChI is InChI=1S/C32H46N6O2/c1-31(2)22-26(34-30(40)38-20-16-36(17-21-38)28-12-8-5-9-13-28)23-32(3,24-31)25-33-29(39)37-18-14-35(15-19-37)27-10-6-4-7-11-27/h4-13,26H,14-25H2,1-3H3,(H,33,39)(H,34,40)/t26-,32-/m0/s1.
What are the key properties of 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide?
4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide has a molecular weight of 546.76 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[[(1R,5S)-1,3,3-trimethyl-5-[(4-phenylpiperazine-1-carbonyl)amino]cyclohexyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 124530236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).