4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

C19H32N4O4 — CID 109147174

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)NCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H32N4O4/c24-15-22-7-9-23(10-8-22)19(26)17-3-1-16(2-4-17)18(25)20-5-6-21-11-13-27-14-12-21/h15-17H,1-14H2,(H,20,25)
InChIKeyCVUCJYSRJLVJPS-UHFFFAOYSA-N
MW380.49 g/mol
LogP-0.46
Rot. Bonds6

About 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide

4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (PubChem CID 109147174) has the molecular formula C19H32N4O4 and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
PubChem CID109147174
Molecular FormulaC19H32N4O4
Molecular Weight380.49 g/mol
Exact Mass380.24
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)NCCN3CCOCC3)CC2)CC1
InChIInChI=1S/C19H32N4O4/c24-15-22-7-9-23(10-8-22)19(26)17-3-1-16(2-4-17)18(25)20-5-6-21-11-13-27-14-12-21/h15-17H,1-14H2,(H,20,25)
InChIKeyCVUCJYSRJLVJPS-UHFFFAOYSA-N
XLogP-0.46
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylpiperazin-1-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994880
4-N-cycloheptyl-1-N-(2-morpholin-4-ylethyl)cyclohexane-1,4-dicarboxamide
CID 109147192
N-[2-[[N'-methyl-N-(2-morpholin-4-ylethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111030584
methyl 4-(2-morpholin-4-ylethylcarbamoyl)piperidine-1-carboxylate
CID 110754087
4-(2-ethylpiperidine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide
CID 109147196
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 112991537
N-(2-morpholin-4-ylethyl)-1-pyrrolidin-1-ylsulfonylpiperidine-4-carboxamide
CID 3448160
4-N-(2-morpholin-4-ylethyl)-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 46428885
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]cyclopentanecarboxamide
CID 47178269
4-amino-N-(3-morpholin-4-ylpropyl)cyclohexane-1-carboxamide
CID 60846570
1-(cyclopropanecarbonyl)-N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]piperidine-4-carboxamide
CID 46446968
1-methyl-N-(2-morpholin-4-ylethyl)piperidine-3-carboxamide
CID 110849698

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide (CID 109147174) is 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is O=CN1CCN(C(=O)C2CCC(C(=O)NCCN3CCOCC3)CC2)CC1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
The InChIKey is CVUCJYSRJLVJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O4/c24-15-22-7-9-23(10-8-22)19(26)17-3-1-16(2-4-17)18(25)20-5-6-21-11-13-27-14-12-21/h15-17H,1-14H2,(H,20,25).
What are the key properties of 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide?
4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of -0.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-formylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109147174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).