(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide

C20H24N4O2 — CID 28891534

IUPAC(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)[C@@H]1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-16-8-9-19(21-15-16)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,25)/t18-/m0/s1
InChIKeyLWBVXDBYJRTEQU-SFHVURJKSA-N
MW352.44 g/mol
LogP2.53
Rot. Bonds4

About (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide

(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 28891534) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID28891534
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)[C@@H]1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-16-8-9-19(21-15-16)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,25)/t18-/m0/s1
InChIKeyLWBVXDBYJRTEQU-SFHVURJKSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide (CID 28891534) is (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)nc1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is LWBVXDBYJRTEQU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-16-8-9-19(21-15-16)24-12-10-23(11-13-24)17-5-2-1-3-6-17/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide?
(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 28891534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).