4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide

C28H35N5O4 — CID 91667388

IUPAC4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C28H35N5O4/c34-26(22-4-2-1-3-5-22)31-14-16-33(17-15-31)28(36)29-24-6-8-25(9-7-24)30-12-10-23(11-13-30)27(35)32-18-20-37-21-19-32/h1-9,23H,10-21H2,(H,29,36)
InChIKeyHRBGCQSCHHZQJA-UHFFFAOYSA-N
MW505.62 g/mol
LogP2.75
Rot. Bonds4

About 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide

4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide (PubChem CID 91667388) has the molecular formula C28H35N5O4 and a molecular weight of 505.62 g/mol. Its IUPAC name is 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
PubChem CID91667388
Molecular FormulaC28H35N5O4
Molecular Weight505.62 g/mol
Exact Mass505.27
IUPAC Name4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C28H35N5O4/c34-26(22-4-2-1-3-5-22)31-14-16-33(17-15-31)28(36)29-24-6-8-25(9-7-24)30-12-10-23(11-13-30)27(35)32-18-20-37-21-19-32/h1-9,23H,10-21H2,(H,29,36)
InChIKeyHRBGCQSCHHZQJA-UHFFFAOYSA-N
XLogP2.75
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.62
LogP ≤ 52.75
H-Bond Donors ≤ 51
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-(furan-2-carbonyl)-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide
CID 91667383
1-benzoyl-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 110298371
N-[4-(4-benzoylpiperazin-1-yl)phenyl]cyclopentanecarboxamide
CID 1055927
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
4-[4-(4-nitrophenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 27231869
oxan-4-yl-(4-phenylpiperazin-1-yl)methanone
CID 78802039
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
4-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 17474266
[1-(furan-3-carbonyl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 35503421
N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1338039
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide (CID 91667388) is 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(N2CCC(C(=O)N3CCOCC3)CC2)cc1)N1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
The InChIKey is HRBGCQSCHHZQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4/c34-26(22-4-2-1-3-5-22)31-14-16-33(17-15-31)28(36)29-24-6-8-25(9-7-24)30-12-10-23(11-13-30)27(35)32-18-20-37-21-19-32/h1-9,23H,10-21H2,(H,29,36).
What are the key properties of 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide?
4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide has a molecular weight of 505.62 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 91667388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).