(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide

C17H19ClN4O — CID 95587281

IUPAC(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-14-6-7-15(20-12-14)21-8-10-22(11-9-21)16(17(19)23)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2,(H2,19,23)/t16-/m1/s1
InChIKeyQDZUHIVPVSHHBZ-MRXNPFEDSA-N
MW330.82 g/mol
LogP2.08
Rot. Bonds4

About (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide

(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide (PubChem CID 95587281) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
PubChem CID95587281
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide
SMILESNC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H19ClN4O/c18-14-6-7-15(20-12-14)21-8-10-22(11-9-21)16(17(19)23)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2,(H2,19,23)/t16-/m1/s1
InChIKeyQDZUHIVPVSHHBZ-MRXNPFEDSA-N
XLogP2.08
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide (CID 95587281) is (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide is NC(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
The InChIKey is QDZUHIVPVSHHBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H19ClN4O/c18-14-6-7-15(20-12-14)21-8-10-22(11-9-21)16(17(19)23)13-4-2-1-3-5-13/h1-7,12,16H,8-11H2,(H2,19,23)/t16-/m1/s1.
What are the key properties of (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide?
(2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide has a molecular weight of 330.82 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-2-phenylacetamide is sourced from PubChem (CID 95587281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).