4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide

C26H33N5O4 — CID 42678788

IUPAC4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H33N5O4/c1-19(2)27-26(34)31-12-10-29(11-13-31)23-9-8-21(28-24(32)20-6-4-3-5-7-20)18-22(23)25(33)30-14-16-35-17-15-30/h3-9,18-19H,10-17H2,1-2H3,(H,27,34)(H,28,32)
InChIKeyAFTRSGVOMQXGRQ-UHFFFAOYSA-N
MW479.58 g/mol
LogP2.65
Rot. Bonds5

About 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide

4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide (PubChem CID 42678788) has the molecular formula C26H33N5O4 and a molecular weight of 479.58 g/mol. Its IUPAC name is 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
PubChem CID42678788
Molecular FormulaC26H33N5O4
Molecular Weight479.58 g/mol
Exact Mass479.25
IUPAC Name4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)N2CCOCC2)CC1
InChIInChI=1S/C26H33N5O4/c1-19(2)27-26(34)31-12-10-29(11-13-31)23-9-8-21(28-24(32)20-6-4-3-5-7-20)18-22(23)25(33)30-14-16-35-17-15-30/h3-9,18-19H,10-17H2,1-2H3,(H,27,34)(H,28,32)
InChIKeyAFTRSGVOMQXGRQ-UHFFFAOYSA-N
XLogP2.65
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.58
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,3-benzodioxole-5-carbonylamino)-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42678791
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
4-[2-(morpholine-4-carbonyl)-4-(propanoylamino)phenyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 83281364
4-[4-[(3-fluorobenzoyl)amino]-2-(pyrrolidine-1-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42672076
4-[4-benzamido-2-(piperidine-1-carbonyl)phenyl]-N-tert-butyl-1,4-diazepane-1-carboxamide
CID 42678938
4-chloro-N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678327
4-[4-[(4-chlorobenzoyl)amino]-2-(morpholine-4-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 42679647
5-benzamido-2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]benzoic acid
CID 46363252
N-[3-(4-methylpiperidine-1-carbonyl)-4-(4-methylpiperidin-1-yl)phenyl]benzamide
CID 1066436
N-[3-(4-methylpiperidine-1-carbonyl)-4-piperidin-1-ylphenyl]benzamide
CID 1066165
4-[4-acetamido-2-(morpholine-4-carbonyl)phenyl]-N-(2-fluorophenyl)-1,4-diazepane-1-carboxamide
CID 42679634
4-phenyl-N-[3-(pyrrolidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]benzamide
CID 1059310

Frequently Asked Questions

What is the IUPAC name of 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The IUPAC name of 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide (CID 42678788) is 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The canonical SMILES for 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide is CC(C)NC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
The InChIKey is AFTRSGVOMQXGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O4/c1-19(2)27-26(34)31-12-10-29(11-13-31)23-9-8-21(28-24(32)20-6-4-3-5-7-20)18-22(23)25(33)30-14-16-35-17-15-30/h3-9,18-19H,10-17H2,1-2H3,(H,27,34)(H,28,32).
What are the key properties of 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide?
4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide has a molecular weight of 479.58 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-benzamido-2-(morpholine-4-carbonyl)phenyl]-N-propan-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 42678788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).