4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide

C35H45N5O2 — CID 156786553

IUPAC4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)CC1
InChIInChI=1S/C35H45N5O2/c1-4-34(41)40(31-14-6-5-7-15-31)32-17-19-38(20-18-32)33-16-9-8-11-29(33)26-37-21-23-39(24-22-37)35(42)36-30-13-10-12-28(25-30)27(2)3/h5-16,25,27,32H,4,17-24,26H2,1-3H3,(H,36,42)
InChIKeyWUFMFVUWNOVKTD-UHFFFAOYSA-N
MW567.78 g/mol
LogP6.57
Rot. Bonds8

About 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide

4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide (PubChem CID 156786553) has the molecular formula C35H45N5O2 and a molecular weight of 567.78 g/mol. Its IUPAC name is 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
PubChem CID156786553
Molecular FormulaC35H45N5O2
Molecular Weight567.78 g/mol
Exact Mass567.36
IUPAC Name4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide
SMILESCCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)CC1
InChIInChI=1S/C35H45N5O2/c1-4-34(41)40(31-14-6-5-7-15-31)32-17-19-38(20-18-32)33-16-9-8-11-29(33)26-37-21-23-39(24-22-37)35(42)36-30-13-10-12-28(25-30)27(2)3/h5-16,25,27,32H,4,17-24,26H2,1-3H3,(H,36,42)
InChIKeyWUFMFVUWNOVKTD-UHFFFAOYSA-N
XLogP6.57
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.78
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)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-phenyl-N-[1-[2-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]propanamide
CID 156786567
[4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 175151627
4-[(2-fluorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 35766423
3-methyl-N-(3-propan-2-ylphenyl)piperidine-1-carboxamide
CID 47199347
2-[[2-[[2-[[2-[[3-[[1-(1-phenylethyl)piperidin-4-yl]-propanoylamino]phenyl]carbamoylamino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 172832781
N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 3345
N-phenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 90349890
N-[1-[1-(1,3-benzodioxol-5-yl)propan-2-yl]piperidin-4-yl]-N-phenylpropanamide;hydrochloride
CID 165365092
4-(2-ethoxyphenyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112383
N-[3-(difluoromethyl)phenyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797210
4-benzyl-N-(3-butan-2-yloxyphenyl)piperazine-1-carboxamide
CID 60582953
ethane;N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 160668171

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide (CID 156786553) is 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide is CCC(=O)N(c1ccccc1)C1CCN(c2ccccc2CN2CCN(C(=O)Nc3cccc(C(C)C)c3)CC2)CC1.
What is the InChIKey of 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide?
The InChIKey is WUFMFVUWNOVKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H45N5O2/c1-4-34(41)40(31-14-6-5-7-15-31)32-17-19-38(20-18-32)33-16-9-8-11-29(33)26-37-21-23-39(24-22-37)35(42)36-30-13-10-12-28(25-30)27(2)3/h5-16,25,27,32H,4,17-24,26H2,1-3H3,(H,36,42).
What are the key properties of 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide?
4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide has a molecular weight of 567.78 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(N-propanoylanilino)piperidin-1-yl]phenyl]methyl]-N-(3-propan-2-ylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 156786553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).