(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide

C15H20N3O2+ — CID 9042971

IUPAC(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
SMILESO=C1C[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1
InChIInChI=1S/C15H19N3O2/c19-13-10-18(9-8-16-13)14(11-4-2-1-3-5-11)15(20)17-12-6-7-12/h1-5,12,14H,6-10H2,(H,16,19)(H,17,20)/p+1/t14-/m1/s1
InChIKeyFNIUCGZWNQEKAY-CQSZACIVSA-O
MW274.34 g/mol
LogP-0.98
Rot. Bonds4

About (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide

(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide (PubChem CID 9042971) has the molecular formula C15H20N3O2+ and a molecular weight of 274.34 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
PubChem CID9042971
Molecular FormulaC15H20N3O2+
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC Name(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
SMILESO=C1C[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1
InChIInChI=1S/C15H19N3O2/c19-13-10-18(9-8-16-13)14(11-4-2-1-3-5-11)15(20)17-12-6-7-12/h1-5,12,14H,6-10H2,(H,16,19)(H,17,20)/p+1/t14-/m1/s1
InChIKeyFNIUCGZWNQEKAY-CQSZACIVSA-O
XLogP-0.98
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,5-dichlorophenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 2450954
(2R)-N-(3-methoxyphenyl)-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide
CID 2474003
(2S)-N-cyclopropyl-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide
CID 9035564
(2R)-N-cyclopropyl-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide
CID 9027647
N-cyclohexyl-2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-2-phenylacetamide
CID 4594936
2,2-diphenyl-N-pyrrolidin-3-ylacetamide
CID 21221994
(2R)-2-hydroxy-2-phenyl-N-piperidin-4-ylacetamide
CID 118541603
(2S)-N-naphthalen-2-yl-2-(3-oxopiperazin-1-ium-1-yl)propanamide
CID 8516516
2-amino-2-phenyl-N-piperidin-4-ylacetamide
CID 110463053
2-(4-chlorophenyl)-N-cyclopentyl-2-pyrrolidin-1-ium-1-ylacetamide
CID 4173138
(2R)-N-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazine-1,4-diium-1-yl]-2-phenylacetamide
CID 9127245
(2S)-N-cyclopropyl-2-methoxy-2-phenylacetamide
CID 958449

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide (CID 9042971) is (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide is O=C1C[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CCN1.
What is the InChIKey of (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
The InChIKey is FNIUCGZWNQEKAY-CQSZACIVSA-O. The full InChI is InChI=1S/C15H19N3O2/c19-13-10-18(9-8-16-13)14(11-4-2-1-3-5-11)15(20)17-12-6-7-12/h1-5,12,14H,6-10H2,(H,16,19)(H,17,20)/p+1/t14-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide?
(2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide has a molecular weight of 274.34 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-(3-oxopiperazin-1-ium-1-yl)-2-phenylacetamide is sourced from PubChem (CID 9042971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).