2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile

C20H34N4O — CID 177134664

IUPAC2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile
SMILESCC1CCC(N2CCN(C(=O)C3CN(C(C)C)C3)C[C@H]2CC#N)CC1
InChIInChI=1S/C20H34N4O/c1-15(2)23-12-17(13-23)20(25)22-10-11-24(19(14-22)8-9-21)18-6-4-16(3)5-7-18/h15-19H,4-8,10-14H2,1-3H3/t16?,18?,19-/m1/s1
InChIKeySQZADMJQBCKZFA-NKELODKYSA-N
MW346.52 g/mol
LogP2.33
Rot. Bonds4

About 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile

2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile (PubChem CID 177134664) has the molecular formula C20H34N4O and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile
PubChem CID177134664
Molecular FormulaC20H34N4O
Molecular Weight346.52 g/mol
Exact Mass346.27
IUPAC Name2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile
SMILESCC1CCC(N2CCN(C(=O)C3CN(C(C)C)C3)C[C@H]2CC#N)CC1
InChIInChI=1S/C20H34N4O/c1-15(2)23-12-17(13-23)20(25)22-10-11-24(19(14-22)8-9-21)18-6-4-16(3)5-7-18/h15-19H,4-8,10-14H2,1-3H3/t16?,18?,19-/m1/s1
InChIKeySQZADMJQBCKZFA-NKELODKYSA-N
XLogP2.33
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.52
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile with MolForge

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Related Compounds

[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796970
[(3R)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796835
[(3R)-3-methyl-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796863
[(3S)-3-(methoxymethyl)-4-(4-propan-2-ylcyclohexyl)piperazin-1-yl]-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 176796823
(4-ethylpiperidin-1-yl)-(1-propan-2-ylazetidin-3-yl)methanone
CID 171093987
(4-methylcyclohexyl)-[(1S,6R)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]methanone
CID 95933340
(4-ethylpiperazin-1-yl)-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanone
CID 170184818
(1-propan-2-ylazetidin-3-yl)-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 170185292
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile?
The IUPAC name of 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile (CID 177134664) is 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile?
The canonical SMILES for 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile is CC1CCC(N2CCN(C(=O)C3CN(C(C)C)C3)C[C@H]2CC#N)CC1.
What is the InChIKey of 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile?
The InChIKey is SQZADMJQBCKZFA-NKELODKYSA-N. The full InChI is InChI=1S/C20H34N4O/c1-15(2)23-12-17(13-23)20(25)22-10-11-24(19(14-22)8-9-21)18-6-4-16(3)5-7-18/h15-19H,4-8,10-14H2,1-3H3/t16?,18?,19-/m1/s1.
What are the key properties of 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile?
2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile has a molecular weight of 346.52 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(4-methylcyclohexyl)-4-(1-propan-2-ylazetidine-3-carbonyl)piperazin-2-yl]acetonitrile is sourced from PubChem (CID 177134664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).