N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide

C22H29N5O — CID 108989553

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C22H29N5O/c1-24-11-13-25(14-12-24)21-9-7-19(8-10-21)23-22(28)27-17-15-26(16-18-27)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,28)
InChIKeyYIOCXGDCGYAWEH-UHFFFAOYSA-N
MW379.51 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 108989553) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
PubChem CID108989553
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)CC1
InChIInChI=1S/C22H29N5O/c1-24-11-13-25(14-12-24)21-9-7-19(8-10-21)23-22(28)27-17-15-26(16-18-27)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,28)
InChIKeyYIOCXGDCGYAWEH-UHFFFAOYSA-N
XLogP2.79
TPSA42.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-methylpiperazin-1-yl)phenyl]azepane-1-carboxamide
CID 108991074
N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(2-methoxyethyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]piperazine-1-carboxamide
CID 113105001
N-[4-[(2S)-butan-2-yl]phenyl]-4-phenylpiperazine-1-carboxamide
CID 40635402
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
4-[4-[(2-methylbenzoyl)amino]phenyl]-N-phenylpiperazine-1-carboxamide
CID 1056962
4-(4-cyanophenyl)-N-phenylpiperazine-1-carboxamide
CID 113081072
phenyl N-[4-(4-methylpiperazin-1-yl)phenyl]carbamate
CID 4552577
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(4-acetylphenyl)-4-methylpiperazine-1-carboxamide
CID 47127479
2-[4-[(4-methylpiperazine-1-carbonyl)amino]phenyl]acetic acid
CID 61186612
N-(4-pyrrolidin-1-ylphenyl)azepane-1-carboxamide
CID 108991070

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide (CID 108989553) is N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide is CN1CCN(c2ccc(NC(=O)N3CCN(c4ccccc4)CC3)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is YIOCXGDCGYAWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O/c1-24-11-13-25(14-12-24)21-9-7-19(8-10-21)23-22(28)27-17-15-26(16-18-27)20-5-3-2-4-6-20/h2-10H,11-18H2,1H3,(H,23,28).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 108989553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).