1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide

C20H32N4O — CID 91140414

IUPAC1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCN(c2cc(NC(=O)C3(C)CCCCC3)ccn2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)23-11-13-24(14-12-23)18-15-17(7-10-21-18)22-19(25)20(3)8-5-4-6-9-20/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22,25)
InChIKeyCQMPIEVQZSTQNL-UHFFFAOYSA-N
MW344.50 g/mol
LogP3.52
Rot. Bonds4

About 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide

1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide (PubChem CID 91140414) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide
PubChem CID91140414
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide
SMILESCC(C)N1CCN(c2cc(NC(=O)C3(C)CCCCC3)ccn2)CC1
InChIInChI=1S/C20H32N4O/c1-16(2)23-11-13-24(14-12-23)18-15-17(7-10-21-18)22-19(25)20(3)8-5-4-6-9-20/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22,25)
InChIKeyCQMPIEVQZSTQNL-UHFFFAOYSA-N
XLogP3.52
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

cyclohexane;[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]carbamic acid
CID 69250731
N-(2-piperidin-1-yl-4-pyridinyl)pyrrolidine-1-carboxamide
CID 155954671
4-methyl-1-propan-2-yl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 134515265
3-methyl-N-(2-methyl-4-pyridinyl)pyrrolidine-3-carboxamide
CID 79240444
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
[3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175194
[3-[2-(azepan-1-yl)-4-pyridinyl]-1,2,4-oxadiazol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 53175315
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 169204570
N-[2-[3-methyl-4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-4-pyridinyl]pyridine-2-carboxamide
CID 140701990
1-methyl-N-quinolin-3-ylcyclohexane-1-carboxamide
CID 11579880
2-(4-propan-2-ylpiperazin-1-yl)pyridine-4-carboximidamide
CID 43585311
4-(4-propan-2-ylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidine
CID 122282402

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide (CID 91140414) is 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide is CC(C)N1CCN(c2cc(NC(=O)C3(C)CCCCC3)ccn2)CC1.
What is the InChIKey of 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide?
The InChIKey is CQMPIEVQZSTQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c1-16(2)23-11-13-24(14-12-23)18-15-17(7-10-21-18)22-19(25)20(3)8-5-4-6-9-20/h7,10,15-16H,4-6,8-9,11-14H2,1-3H3,(H,21,22,25).
What are the key properties of 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide?
1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide has a molecular weight of 344.50 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 91140414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).