N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

C24H32N4O5 — CID 55649623

IUPACN-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1)C1CCCCC1
InChIInChI=1S/C24H32N4O5/c29-21(18-5-2-1-3-6-18)25-20-8-4-7-19(17-20)22(30)26-9-11-27(12-10-26)23(31)24(32)28-13-15-33-16-14-28/h4,7-8,17-18H,1-3,5-6,9-16H2,(H,25,29)
InChIKeyIQNLXKNBGXDYHO-UHFFFAOYSA-N
MW456.54 g/mol
LogP1.35
Rot. Bonds3

About N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide

N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (PubChem CID 55649623) has the molecular formula C24H32N4O5 and a molecular weight of 456.54 g/mol. Its IUPAC name is N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
PubChem CID55649623
Molecular FormulaC24H32N4O5
Molecular Weight456.54 g/mol
Exact Mass456.24
IUPAC NameN-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1)C1CCCCC1
InChIInChI=1S/C24H32N4O5/c29-21(18-5-2-1-3-6-18)25-20-8-4-7-19(17-20)22(30)26-9-11-27(12-10-26)23(31)24(32)28-13-15-33-16-14-28/h4,7-8,17-18H,1-3,5-6,9-16H2,(H,25,29)
InChIKeyIQNLXKNBGXDYHO-UHFFFAOYSA-N
XLogP1.35
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119283240
N-[3-(morpholine-4-carbonyl)phenyl]-1-prop-2-enoylpiperidine-3-carboxamide
CID 166411399
3-amino-N-[3-(morpholine-4-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119712321
1-(cyclopentanecarbonyl)-N-[3-[2-[3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825665
1-cyclopentyl-3-[3-(morpholine-4-carbonyl)phenyl]urea
CID 51082716
N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide
CID 119283247
N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide
CID 31611202
N-[3-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide
CID 55650668
N-[3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]phenyl]oxolane-2-carboxamide
CID 43074897
2-bromo-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 46736679
(2R)-2-cyclopentyl-N-[3-(morpholine-4-carbonyl)phenyl]pyrrolidine-1-carboxamide
CID 94653417
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide (CID 55649623) is N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is O=C(Nc1cccc(C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1)C1CCCCC1.
What is the InChIKey of N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
The InChIKey is IQNLXKNBGXDYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O5/c29-21(18-5-2-1-3-6-18)25-20-8-4-7-19(17-20)22(30)26-9-11-27(12-10-26)23(31)24(32)28-13-15-33-16-14-28/h4,7-8,17-18H,1-3,5-6,9-16H2,(H,25,29).
What are the key properties of N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide?
N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide has a molecular weight of 456.54 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-morpholin-4-yl-2-oxoacetyl)piperazine-1-carbonyl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 55649623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).