2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

C20H31N3O — CID 51224084

IUPAC2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-20(2,3)17-6-4-16(5-7-17)14-22-10-12-23(13-11-22)15-19(24)21-18-8-9-18/h4-7,18H,8-15H2,1-3H3,(H,21,24)
InChIKeyOGICXDXJWKGIHC-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.38
Rot. Bonds5

About 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide

2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (PubChem CID 51224084) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
PubChem CID51224084
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide
SMILESCC(C)(C)c1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-20(2,3)17-6-4-16(5-7-17)14-22-10-12-23(13-11-22)15-19(24)21-18-8-9-18/h4-7,18H,8-15H2,1-3H3,(H,21,24)
InChIKeyOGICXDXJWKGIHC-UHFFFAOYSA-N
XLogP2.38
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-acetylpiperidin-4-yl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 55446686
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]acetamide
CID 139542607
2-[4-[2-(4-tert-butylphenoxy)acetyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 31426677
2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 29477275
2-(4-tert-butylphenoxy)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 86812678
4-tert-butyl-N-[3-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzamide
CID 24504193
2-[(4-tert-butylphenyl)methylsulfanyl]-N-cyclopropylacetamide
CID 134017051
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
ethyl 4-[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]piperidine-1-carboxylate
CID 8616599
N-[(4-tert-butylphenyl)methylideneamino]-2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 1390261
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]ethanethioamide
CID 63336816
N-cyclopropyl-2-[4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]piperazin-1-yl]acetamide
CID 66717065

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The IUPAC name of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide (CID 51224084) is 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The canonical SMILES for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is CC(C)(C)c1ccc(CN2CCN(CC(=O)NC3CC3)CC2)cc1.
What is the InChIKey of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
The InChIKey is OGICXDXJWKGIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-20(2,3)17-6-4-16(5-7-17)14-22-10-12-23(13-11-22)15-19(24)21-18-8-9-18/h4-7,18H,8-15H2,1-3H3,(H,21,24).
What are the key properties of 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide?
2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide has a molecular weight of 329.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-N-cyclopropylacetamide is sourced from PubChem (CID 51224084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).