(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide

C26H31N5O2 — CID 124783014

IUPAC(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1
InChIInChI=1S/C26H31N5O2/c32-26(24-12-6-17-33-24)29-25(22-10-3-4-13-27-22)21-9-5-15-30(19-21)18-20-8-1-2-11-23(20)31-16-7-14-28-31/h1-4,7-8,10-11,13-14,16,21,24-25H,5-6,9,12,15,17-19H2,(H,29,32)/t21-,24+,25-/m0/s1
InChIKeyXFLDUEHBXKIJLB-GPUOULLFSA-N
MW445.57 g/mol
LogP3.52
Rot. Bonds7

About (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide

(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide (PubChem CID 124783014) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
PubChem CID124783014
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
SMILESO=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1
InChIInChI=1S/C26H31N5O2/c32-26(24-12-6-17-33-24)29-25(22-10-3-4-13-27-22)21-9-5-15-30(19-21)18-20-8-1-2-11-23(20)31-16-7-14-28-31/h1-4,7-8,10-11,13-14,16,21,24-25H,5-6,9,12,15,17-19H2,(H,29,32)/t21-,24+,25-/m0/s1
InChIKeyXFLDUEHBXKIJLB-GPUOULLFSA-N
XLogP3.52
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-[(R)-[(3S)-1-[(2-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 124799837
(2S)-N-[(S)-[(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide
CID 95795561
N-[(S)-[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopentanecarboxamide
CID 95795377
N-[[1-(oxolane-2-carbonyl)piperidin-3-yl]-pyridin-2-ylmethyl]acetamide
CID 110226772
N-[(S)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-3-phenylpropanamide
CID 95795528
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 46951192
3-methoxy-N-[(R)-[(3R)-1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide
CID 100833189
3-fluoro-N-[(S)-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]benzamide
CID 95795487
3-methoxy-N-[[1-[(2-methoxy-3-methylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]propanamide;hydrochloride
CID 171669163
2-phenyl-N-[(S)-pyridin-2-yl-[(3S)-1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]acetamide
CID 92574475
N-[(S)-[(3S)-1-[[(3S)-oxolan-3-yl]methyl]piperidin-3-yl]-pyridin-2-ylmethyl]cyclopropanecarboxamide
CID 92577175
N-[(R)-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]-2-methylbenzamide
CID 92561820

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide (CID 124783014) is (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide is O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2-n2cccn2)C1)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?
The InChIKey is XFLDUEHBXKIJLB-GPUOULLFSA-N. The full InChI is InChI=1S/C26H31N5O2/c32-26(24-12-6-17-33-24)29-25(22-10-3-4-13-27-22)21-9-5-15-30(19-21)18-20-8-1-2-11-23(20)31-16-7-14-28-31/h1-4,7-8,10-11,13-14,16,21,24-25H,5-6,9,12,15,17-19H2,(H,29,32)/t21-,24+,25-/m0/s1.
What are the key properties of (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide?
(2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(S)-[(3S)-1-[(2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-pyridin-2-ylmethyl]oxolane-2-carboxamide is sourced from PubChem (CID 124783014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).