(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

C18H25N3O3 — CID 124546406

IUPAC(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C18H25N3O3/c1-20(13-14-7-9-19-10-8-14)17(22)15-5-2-3-11-21(15)18(23)16-6-4-12-24-16/h7-10,15-16H,2-6,11-13H2,1H3/t15-,16+/m0/s1
InChIKeySCIHUEYONFFONH-JKSUJKDBSA-N
MW331.42 g/mol
LogP1.60
Rot. Bonds4

About (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide

(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (PubChem CID 124546406) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
PubChem CID124546406
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
SMILESCN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1
InChIInChI=1S/C18H25N3O3/c1-20(13-14-7-9-19-10-8-14)17(22)15-5-2-3-11-21(15)18(23)16-6-4-12-24-16/h7-10,15-16H,2-6,11-13H2,1H3/t15-,16+/m0/s1
InChIKeySCIHUEYONFFONH-JKSUJKDBSA-N
XLogP1.60
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-methyl-1-[(2S)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 124546404
[(2R,3R)-3-hydroxy-2-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 124786378
1-acetyl-N-ethyl-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 146086260
[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 45183893
N-[5-(dimethylamino)-2-pyridinyl]-1-(oxolane-2-carbonyl)piperidine-2-carboxamide
CID 71878322
1-methyl-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-(pyridin-4-ylmethyl)urea
CID 95643433
N-methyl-1-(pyridine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 71998761
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125
1-[(2S)-oxane-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 142318628
2-[(2S)-1-[(2R)-oxolane-2-carbonyl]piperidin-2-yl]-7-(pyridin-4-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090399
2-methyl-1-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 59266604
(2S)-N-benzyl-1-[(2S)-1-(2,6-difluorobenzoyl)pyrrolidine-2-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 50985877

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide (CID 124546406) is (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is CN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1C(=O)[C@H]1CCCO1.
What is the InChIKey of (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
The InChIKey is SCIHUEYONFFONH-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(13-14-7-9-19-10-8-14)17(22)15-5-2-3-11-21(15)18(23)16-6-4-12-24-16/h7-10,15-16H,2-6,11-13H2,1H3/t15-,16+/m0/s1.
What are the key properties of (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide?
(2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-1-[(2R)-oxolane-2-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 124546406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).