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

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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).