(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide

C20H29N3O2 — CID 124883990

IUPAC(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C
InChIInChI=1S/C20H29N3O2/c1-14(2)19-17(8-11-25-19)20(24)22-18-7-10-23(12-15(18)3)13-16-6-4-5-9-21-16/h4-6,9,15,17-19H,1,7-8,10-13H2,2-3H3,(H,22,24)/t15-,17-,18+,19-/m1/s1
InChIKeySJMFPCANFRRJKB-OQIJWPOYSA-N
MW343.47 g/mol
LogP2.39
Rot. Bonds5

About (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide

(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide (PubChem CID 124883990) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
PubChem CID124883990
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
SMILESC=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C
InChIInChI=1S/C20H29N3O2/c1-14(2)19-17(8-11-25-19)20(24)22-18-7-10-23(12-15(18)3)13-16-6-4-5-9-21-16/h4-6,9,15,17-19H,1,7-8,10-13H2,2-3H3,(H,22,24)/t15-,17-,18+,19-/m1/s1
InChIKeySJMFPCANFRRJKB-OQIJWPOYSA-N
XLogP2.39
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3R)-N-[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
CID 125146131
1-[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-phenylurea
CID 95629029
1-[(1-hydroxycyclopentyl)methyl]-3-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]urea
CID 111422950
(2S,3R)-N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]-2-prop-1-en-2-yloxolane-3-carboxamide
CID 124737397
methyl 4-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 124732005
1-[2-fluoro-6-[[(3R,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 124866036
1-[2-fluoro-6-[[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]phenyl]ethanone
CID 96503542
2-[(1S)-1-[[(3S,4R)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701828
2-[(1S)-1-[[(3S,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]propyl]phenol
CID 99701830
N-[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 86962289
(4R,4aS,8aR)-N-(2-methoxyethyl)-6-(pyridin-2-ylmethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-4-carboxamide
CID 97367145
methyl 1-[[[3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]cyclohexane-1-carboxylate
CID 91653500

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The IUPAC name of (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide (CID 124883990) is (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The canonical SMILES for (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide is C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccn2)C[C@H]1C.
What is the InChIKey of (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
The InChIKey is SJMFPCANFRRJKB-OQIJWPOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)19-17(8-11-25-19)20(24)22-18-7-10-23(12-15(18)3)13-16-6-4-5-9-21-16/h4-6,9,15,17-19H,1,7-8,10-13H2,2-3H3,(H,22,24)/t15-,17-,18+,19-/m1/s1.
What are the key properties of (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide?
(2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(3R,4S)-3-methyl-1-(pyridin-2-ylmethyl)piperidin-4-yl]-2-prop-1-en-2-yloxolane-3-carboxamide is sourced from PubChem (CID 124883990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).