N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide

C20H24N4O2 — CID 113028796

IUPACN-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cn1)C1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-19-9-8-17(15-21-19)24-12-10-23(11-13-24)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,21,22,25)
InChIKeyWORNQDPOBVSNHL-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.53
Rot. Bonds4

About N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113028796) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113028796
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cn1)C1CCCO1
InChIInChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-19-9-8-17(15-21-19)24-12-10-23(11-13-24)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,21,22,25)
InChIKeyWORNQDPOBVSNHL-UHFFFAOYSA-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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Related Compounds

N-[5-(4-formylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide
CID 113026042
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608
N-[4-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 15999586
N-[5-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]oxane-4-carboxamide
CID 113029655
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[4-(azepan-1-yl)phenyl]oxolane-2-carboxamide
CID 51197534
(2R)-N-(4-morpholin-4-ylphenyl)oxolane-2-carboxamide
CID 2476290
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide (CID 113028796) is N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(N2CCN(c3ccccc3)CC2)cn1)C1CCCO1.
What is the InChIKey of N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is WORNQDPOBVSNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-20(18-7-4-14-26-18)22-19-9-8-17(15-21-19)24-12-10-23(11-13-24)16-5-2-1-3-6-16/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,21,22,25).
What are the key properties of N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(4-phenylpiperazin-1-yl)-2-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 N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113028796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).