N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide

C23H30N4O4 — CID 83290450

IUPACN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C23H30N4O4/c28-21(16-1-2-16)24-18-5-6-20(19(15-18)23(30)27-11-13-31-14-12-27)25-7-9-26(10-8-25)22(29)17-3-4-17/h5-6,15-17H,1-4,7-14H2,(H,24,28)
InChIKeyQUYKLMZLAQVRBZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.57
Rot. Bonds5

About N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide (PubChem CID 83290450) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide
PubChem CID83290450
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCOCC2)c1)C1CC1
InChIInChI=1S/C23H30N4O4/c28-21(16-1-2-16)24-18-5-6-20(19(15-18)23(30)27-11-13-31-14-12-27)25-7-9-26(10-8-25)22(29)17-3-4-17/h5-6,15-17H,1-4,7-14H2,(H,24,28)
InChIKeyQUYKLMZLAQVRBZ-UHFFFAOYSA-N
XLogP1.57
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.57
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

N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclopentanecarboxamide
CID 42678411
N-[4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 42678524
N-[3-(piperidine-1-carbonyl)-4-pyrrolidin-1-ylphenyl]cyclopropanecarboxamide
CID 42751185
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
4-[4-(cyclopentanecarbonylamino)-2-(piperidine-1-carbonyl)phenyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 42678889
4-chloro-N-[4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 42672349
N-[4-[4-(3-methylbutanoyl)piperazin-1-yl]-3-(piperidine-1-carbonyl)phenyl]cyclobutanecarboxamide
CID 42678380
N-[3-(azepan-1-yl)-4-(piperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 53146022
N-(3-chlorophenyl)-4-[4-(cyclopentanecarbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 42672554
1-(cyclopropanecarbonyl)-N-[4-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]phenyl]piperidine-4-carboxamide
CID 44825596
N-[4-[4-(2-fluorobenzoyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]benzamide
CID 42678325
4-[4-(cyclopentanecarbonylamino)-2-(pyrrolidine-1-carbonyl)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42672082

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide (CID 83290450) is N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(N2CCN(C(=O)C3CC3)CC2)c(C(=O)N2CCOCC2)c1)C1CC1.
What is the InChIKey of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide?
The InChIKey is QUYKLMZLAQVRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c28-21(16-1-2-16)24-18-5-6-20(19(15-18)23(30)27-11-13-31-14-12-27)25-7-9-26(10-8-25)22(29)17-3-4-17/h5-6,15-17H,1-4,7-14H2,(H,24,28).
What are the key properties of N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide?
N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(morpholine-4-carbonyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 83290450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).