1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

C20H29N3O3 — CID 135092036

IUPAC1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)20(25)23-9-5-16(6-10-23)19(24)22-18-13-26-12-17(18)11-15-3-7-21-8-4-15/h3-4,7-8,14,16-18H,5-6,9-13H2,1-2H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyFZUIIUXLQOSQFL-MSOLQXFVSA-N
MW359.47 g/mol
LogP1.65
Rot. Bonds5

About 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide

1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 135092036) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
PubChem CID135092036
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESCC(C)C(=O)N1CCC(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1
InChIInChI=1S/C20H29N3O3/c1-14(2)20(25)23-9-5-16(6-10-23)19(24)22-18-13-26-12-17(18)11-15-3-7-21-8-4-15/h3-4,7-8,14,16-18H,5-6,9-13H2,1-2H3,(H,22,24)/t17-,18+/m1/s1
InChIKeyFZUIIUXLQOSQFL-MSOLQXFVSA-N
XLogP1.65
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135096686
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134712104
N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 134695488
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
2-(4-propan-2-ylphenyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134709594
4-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]pentanamide
CID 134697099
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
4-tert-butyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135106892
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (CID 135092036) is 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is CC(C)C(=O)N1CCC(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)CC1.
What is the InChIKey of 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is FZUIIUXLQOSQFL-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-14(2)20(25)23-9-5-16(6-10-23)19(24)22-18-13-26-12-17(18)11-15-3-7-21-8-4-15/h3-4,7-8,14,16-18H,5-6,9-13H2,1-2H3,(H,22,24)/t17-,18+/m1/s1.
What are the key properties of 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 135092036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).