(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone

C19H28N2O — CID 177267388

IUPAC(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC1CC(C(=O)N2CCN(c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C19H28N2O/c1-14(2)16-4-6-18(7-5-16)20-8-10-21(11-9-20)19(22)17-12-15(3)13-17/h4-7,14-15,17H,8-13H2,1-3H3
InChIKeyMCTMPBHADKDRIP-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.50
Rot. Bonds3

About (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone

(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone (PubChem CID 177267388) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
PubChem CID177267388
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
SMILESCC1CC(C(=O)N2CCN(c3ccc(C(C)C)cc3)CC2)C1
InChIInChI=1S/C19H28N2O/c1-14(2)16-4-6-18(7-5-16)20-8-10-21(11-9-20)19(22)17-12-15(3)13-17/h4-7,14-15,17H,8-13H2,1-3H3
InChIKeyMCTMPBHADKDRIP-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
N,N-dimethyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 138530380
4-(4-phenylpiperazine-1-carbonyl)-1-(4-propan-2-ylphenyl)pyrrolidin-2-one
CID 113186685
N-tert-butyl-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113110405
cyclobutyl-[4-[4-(4-methylpiperidin-1-yl)phenyl]piperazin-1-yl]methanone
CID 113079073
(2-chlorophenyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076207
[4-(4-chlorophenyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 2169854
1-[4-[4-(1-sulfanylethyl)phenyl]piperazin-1-yl]ethanone
CID 163789596
(3R,5S)-3,5-dimethyl-1-(4-propan-2-ylphenyl)piperidine
CID 164952945
4-(4-propan-2-ylphenyl)-N-propylpiperazine-1-carboxamide
CID 113103254
cyclobutyl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 113079016
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349

Frequently Asked Questions

What is the IUPAC name of (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The IUPAC name of (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone (CID 177267388) is (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone is CC1CC(C(=O)N2CCN(c3ccc(C(C)C)cc3)CC2)C1.
What is the InChIKey of (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
The InChIKey is MCTMPBHADKDRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-14(2)16-4-6-18(7-5-16)20-8-10-21(11-9-20)19(22)17-12-15(3)13-17/h4-7,14-15,17H,8-13H2,1-3H3.
What are the key properties of (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone?
(3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone has a molecular weight of 300.45 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclobutyl)-[4-(4-propan-2-ylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 177267388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).