N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C20H25N5O3 — CID 45198635

IUPACN-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1)C1CCOC1
InChIInChI=1S/C20H25N5O3/c26-19(12-15-2-1-7-21-13-15)24-9-4-17(5-10-24)25-18(3-8-22-25)23-20(27)16-6-11-28-14-16/h1-3,7-8,13,16-17H,4-6,9-12,14H2,(H,23,27)
InChIKeyVQJWNRCBWBYGGS-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.66
Rot. Bonds5

About N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 45198635) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID45198635
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC NameN-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1)C1CCOC1
InChIInChI=1S/C20H25N5O3/c26-19(12-15-2-1-7-21-13-15)24-9-4-17(5-10-24)25-18(3-8-22-25)23-20(27)16-6-11-28-14-16/h1-3,7-8,13,16-17H,4-6,9-12,14H2,(H,23,27)
InChIKeyVQJWNRCBWBYGGS-UHFFFAOYSA-N
XLogP1.66
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42466671
N-[2-[1-[2-(3-methylphenyl)acetyl]piperidin-4-yl]pyrazol-3-yl]cyclopropanecarboxamide
CID 24793292
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26321404
(3R)-N-[2-[1-(3-methylbutyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42383376
(3R)-N-[2-[1-(quinolin-8-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42288539
(3R)-N-[2-[1-(3-hydroxy-2,2-dimethylpropyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42378611
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
N-[2-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 24817087
1-(4-pyrazol-1-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 110468074
(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45179421

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 45198635) is N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C(=O)Cc2cccnc2)CC1)C1CCOC1.
What is the InChIKey of N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is VQJWNRCBWBYGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c26-19(12-15-2-1-7-21-13-15)24-9-4-17(5-10-24)25-18(3-8-22-25)23-20(27)16-6-11-28-14-16/h1-3,7-8,13,16-17H,4-6,9-12,14H2,(H,23,27).
What are the key properties of N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 45198635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).