N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

C19H31N3O3 — CID 109146089

IUPACN-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H31N3O3/c23-14-21-10-12-22(13-11-21)19(25)16-8-6-15(7-9-16)18(24)20-17-4-2-1-3-5-17/h14-17H,1-13H2,(H,20,24)
InChIKeyAEBJEICDHWAVCD-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.54
Rot. Bonds4

About N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide

N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (PubChem CID 109146089) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
PubChem CID109146089
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC NameN-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
SMILESO=CN1CCN(C(=O)C2CCC(C(=O)NC3CCCCC3)CC2)CC1
InChIInChI=1S/C19H31N3O3/c23-14-21-10-12-22(13-11-21)19(25)16-8-6-15(7-9-16)18(24)20-17-4-2-1-3-5-17/h14-17H,1-13H2,(H,20,24)
InChIKeyAEBJEICDHWAVCD-UHFFFAOYSA-N
XLogP1.54
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
N-(1-formylpiperidin-4-yl)cyclopropanecarboxamide
CID 64992853
N-cyclopentyl-4-(4-ethylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145772
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
acetaldehyde;N-cyclohexylcyclopropanecarboxamide
CID 143959717
N-cyclohexyl-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 110364760
N-(1-formylpiperidin-4-yl)-4-methylcyclohexane-1-carboxamide
CID 141160513
2-[1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]piperidin-4-yl]acetic acid
CID 119178723
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclodecylcyclododecanecarboxamide
CID 135182352
1-(cyclopropanecarbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 43389164

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide (CID 109146089) is N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is O=CN1CCN(C(=O)C2CCC(C(=O)NC3CCCCC3)CC2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
The InChIKey is AEBJEICDHWAVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c23-14-21-10-12-22(13-11-21)19(25)16-8-6-15(7-9-16)18(24)20-17-4-2-1-3-5-17/h14-17H,1-13H2,(H,20,24).
What are the key properties of N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide?
N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 109146089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).