2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

C21H29N3O2 — CID 154795037

IUPAC2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C(C2CC2)N2CCCC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19(16-17-6-2-1-3-7-17)22-12-14-24(15-13-22)21(26)20(18-8-9-18)23-10-4-5-11-23/h1-3,6-7,18,20H,4-5,8-16H2
InChIKeyPSWMNPRUACSENO-UHFFFAOYSA-N
MW355.48 g/mol
LogP1.77
Rot. Bonds5

About 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone

2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 154795037) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
PubChem CID154795037
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(Cc1ccccc1)N1CCN(C(=O)C(C2CC2)N2CCCC2)CC1
InChIInChI=1S/C21H29N3O2/c25-19(16-17-6-2-1-3-7-17)22-12-14-24(15-13-22)21(26)20(18-8-9-18)23-10-4-5-11-23/h1-3,6-7,18,20H,4-5,8-16H2
InChIKeyPSWMNPRUACSENO-UHFFFAOYSA-N
XLogP1.77
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(1S)-1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 93210582
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
(E)-1-[4-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-3-phenylprop-2-en-1-one
CID 42842736
N-[2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]-2-pyrrolidin-1-ylethyl]cyclopropanecarboxamide
CID 46037057
2-cyclopentyl-N-(furan-2-ylmethyl)-2-[4-(2-phenylacetyl)piperazin-1-yl]acetamide
CID 42842454
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-[4-(azepan-1-yl)piperidin-1-yl]-2-phenylethanone
CID 1121449
2-cyclopentyl-2-[4-(2-phenylacetyl)piperazin-1-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 46024335
oxalic acid;2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 2912760
1-(4-acetyl-1,4-diazepan-1-yl)-2-phenylethanone
CID 44603156

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone (CID 154795037) is 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is O=C(Cc1ccccc1)N1CCN(C(=O)C(C2CC2)N2CCCC2)CC1.
What is the InChIKey of 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is PSWMNPRUACSENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c25-19(16-17-6-2-1-3-7-17)22-12-14-24(15-13-22)21(26)20(18-8-9-18)23-10-4-5-11-23/h1-3,6-7,18,20H,4-5,8-16H2.
What are the key properties of 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone?
2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 355.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[4-(2-phenylacetyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 154795037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).