1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone

C20H31N3O — CID 56540097

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(CC2CC2)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O/c1-3-22(4-2)19(18-8-6-5-7-9-18)20(24)23-14-12-21(13-15-23)16-17-10-11-17/h5-9,17,19H,3-4,10-16H2,1-2H3
InChIKeyUVBKGSRCFJLHOI-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.62
Rot. Bonds7

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone

1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone (PubChem CID 56540097) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
PubChem CID56540097
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone
SMILESCCN(CC)C(C(=O)N1CCN(CC2CC2)CC1)c1ccccc1
InChIInChI=1S/C20H31N3O/c1-3-22(4-2)19(18-8-6-5-7-9-18)20(24)23-14-12-21(13-15-23)16-17-10-11-17/h5-9,17,19H,3-4,10-16H2,1-2H3
InChIKeyUVBKGSRCFJLHOI-UHFFFAOYSA-N
XLogP2.62
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56550201
1-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-4-methylpentan-1-one
CID 56552712
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 56538556
1-(4-benzylsulfonylpiperazin-1-yl)-2-(diethylamino)-2-phenylethanone
CID 56538250
2-(diethylamino)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396244
2-(diethylamino)-1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)-2-phenylethanone
CID 56540726
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(diethylamino)-2-phenylethanone
CID 119594160
2-(diethylamino)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56540565
2-[ethyl(methyl)amino]-1-[4-(2-methylpropyl)piperazin-1-yl]-2-phenylethanone
CID 56509530
2-[4-[2-(diethylamino)-2-phenylacetyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 56546917
2-(diethylamino)-1-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-phenylethanone
CID 56546226
2-(diethylamino)-1-[4-(2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 56552747

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone (CID 56540097) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone is CCN(CC)C(C(=O)N1CCN(CC2CC2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone?
The InChIKey is UVBKGSRCFJLHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-22(4-2)19(18-8-6-5-7-9-18)20(24)23-14-12-21(13-15-23)16-17-10-11-17/h5-9,17,19H,3-4,10-16H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone has a molecular weight of 329.49 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(diethylamino)-2-phenylethanone is sourced from PubChem (CID 56540097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).