4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

C26H35N5O3 — CID 55794432

IUPAC4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N5O3/c1-20(2)29(3)25(33)23-11-9-22(10-12-23)18-28-26(34)31-15-13-30(14-16-31)19-24(32)27-17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyYCWBMMCNBSUZGQ-UHFFFAOYSA-N
MW465.60 g/mol
LogP2.31
Rot. Bonds8

About 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide

4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (PubChem CID 55794432) has the molecular formula C26H35N5O3 and a molecular weight of 465.60 g/mol. Its IUPAC name is 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
PubChem CID55794432
Molecular FormulaC26H35N5O3
Molecular Weight465.60 g/mol
Exact Mass465.27
IUPAC Name4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C26H35N5O3/c1-20(2)29(3)25(33)23-11-9-22(10-12-23)18-28-26(34)31-15-13-30(14-16-31)19-24(32)27-17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3,(H,27,32)(H,28,34)
InChIKeyYCWBMMCNBSUZGQ-UHFFFAOYSA-N
XLogP2.31
TPSA84.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

N-benzyl-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 30636979
N-benzyl-4-(2-methylpropyl)piperazine-1-carboxamide
CID 47120826
N-[1-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 55495610
N-benzyl-2-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]acetamide
CID 163526789
2-[4-[2-[benzhydryl(methyl)amino]-2-oxoethyl]piperazin-1-yl]-N-benzylacetamide
CID 55494313
4-(4-chlorophenyl)sulfonyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55794689
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475
4-(3-methoxy-4-methylbenzoyl)-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide
CID 55928870
4-[2-(benzylamino)-2-oxoethyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 30940293
N,4-dibenzylpiperazine-1-carboxamide;ethane
CID 91343107
N-[(4-methylphenyl)methyl]-2-[4-(2-phenylethyl)piperazin-1-yl]acetamide
CID 34943408
N-benzyl-2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]acetamide
CID 18140436

Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide (CID 55794432) is 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
The InChIKey is YCWBMMCNBSUZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3/c1-20(2)29(3)25(33)23-11-9-22(10-12-23)18-28-26(34)31-15-13-30(14-16-31)19-24(32)27-17-21-7-5-4-6-8-21/h4-12,20H,13-19H2,1-3H3,(H,27,32)(H,28,34).
What are the key properties of 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide?
4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzylamino)-2-oxoethyl]-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55794432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).