(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide

C21H26N4O2 — CID 44573332

IUPAC(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide
SMILESNc1ccnc(N2CCC(NC(=O)[C@@H]3CCCO3)(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c22-17-8-11-23-19(15-17)25-12-9-21(10-13-25,16-5-2-1-3-6-16)24-20(26)18-7-4-14-27-18/h1-3,5-6,8,11,15,18H,4,7,9-10,12-14H2,(H2,22,23)(H,24,26)/t18-/m0/s1
InChIKeyGVOROESSOVMDMF-SFHVURJKSA-N
MW366.47 g/mol
LogP2.45
Rot. Bonds4

About (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide

(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide (PubChem CID 44573332) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide
PubChem CID44573332
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide
SMILESNc1ccnc(N2CCC(NC(=O)[C@@H]3CCCO3)(c3ccccc3)CC2)c1
InChIInChI=1S/C21H26N4O2/c22-17-8-11-23-19(15-17)25-12-9-21(10-13-25,16-5-2-1-3-6-16)24-20(26)18-7-4-14-27-18/h1-3,5-6,8,11,15,18H,4,7,9-10,12-14H2,(H2,22,23)(H,24,26)/t18-/m0/s1
InChIKeyGVOROESSOVMDMF-SFHVURJKSA-N
XLogP2.45
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide (CID 44573332) is (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide is Nc1ccnc(N2CCC(NC(=O)[C@@H]3CCCO3)(c3ccccc3)CC2)c1.
What is the InChIKey of (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide?
The InChIKey is GVOROESSOVMDMF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H26N4O2/c22-17-8-11-23-19(15-17)25-12-9-21(10-13-25,16-5-2-1-3-6-16)24-20(26)18-7-4-14-27-18/h1-3,5-6,8,11,15,18H,4,7,9-10,12-14H2,(H2,22,23)(H,24,26)/t18-/m0/s1.
What are the key properties of (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide?
(2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 44573332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).