(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide

C25H35N5O2 — CID 42466671

IUPAC(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C25H35N5O2/c31-25(21-11-17-32-19-21)27-24-6-12-26-30(24)23-9-15-29(16-10-23)22-7-13-28(14-8-22)18-20-4-2-1-3-5-20/h1-6,12,21-23H,7-11,13-19H2,(H,27,31)/t21-/m1/s1
InChIKeyKZQRVMMNPOLWEW-OAQYLSRUSA-N
MW437.59 g/mol
LogP3.16
Rot. Bonds6

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

(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (PubChem CID 42466671) has the molecular formula C25H35N5O2 and a molecular weight of 437.59 g/mol. Its IUPAC name is (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
PubChem CID42466671
Molecular FormulaC25H35N5O2
Molecular Weight437.59 g/mol
Exact Mass437.28
IUPAC Name(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C25H35N5O2/c31-25(21-11-17-32-19-21)27-24-6-12-26-30(24)23-9-15-29(16-10-23)22-7-13-28(14-8-22)18-20-4-2-1-3-5-20/h1-6,12,21-23H,7-11,13-19H2,(H,27,31)/t21-/m1/s1
InChIKeyKZQRVMMNPOLWEW-OAQYLSRUSA-N
XLogP3.16
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3R)-N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26390940
N-[2-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45242836
(3S)-N-[2-[1-[(2,4,5-trimethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26329095
N-[2-[1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45179421
(3R)-N-[2-[1-[(3-methyl-1H-indol-2-yl)methyl]piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 42392111
(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
N-[2-[1-(3-phenylprop-2-ynoyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45205188
N-[2-[1-(2-pyridin-3-ylacetyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 45198635
(3R)-N-[2-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide
CID 26321404
N-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42211407

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide (CID 42466671) is (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is O=C(Nc1ccnn1C1CCN(C2CCN(Cc3ccccc3)CC2)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
The InChIKey is KZQRVMMNPOLWEW-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H35N5O2/c31-25(21-11-17-32-19-21)27-24-6-12-26-30(24)23-9-15-29(16-10-23)22-7-13-28(14-8-22)18-20-4-2-1-3-5-20/h1-6,12,21-23H,7-11,13-19H2,(H,27,31)/t21-/m1/s1.
What are the key properties of (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide?
(3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide has a molecular weight of 437.59 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]pyrazol-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 42466671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).