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

C18H27N3O3 — CID 135096686

IUPAC1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(CCO)CC1
InChIInChI=1S/C18H27N3O3/c22-10-9-21-7-3-15(4-8-21)18(23)20-17-13-24-12-16(17)11-14-1-5-19-6-2-14/h1-2,5-6,15-17,22H,3-4,7-13H2,(H,20,23)/t16-,17-/m1/s1
InChIKeyQZYSIKAEOGYKQM-IAGOWNOFSA-N
MW333.43 g/mol
LogP0.46
Rot. Bonds6

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

1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 135096686) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
PubChem CID135096686
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(CCO)CC1
InChIInChI=1S/C18H27N3O3/c22-10-9-21-7-3-15(4-8-21)18(23)20-17-13-24-12-16(17)11-14-1-5-19-6-2-14/h1-2,5-6,15-17,22H,3-4,7-13H2,(H,20,23)/t16-,17-/m1/s1
InChIKeyQZYSIKAEOGYKQM-IAGOWNOFSA-N
XLogP0.46
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
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
1-(2-methylpropanoyl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135092036
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
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
2-pyrazol-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134699637

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (CID 135096686) is 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(CCO)CC1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is QZYSIKAEOGYKQM-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27N3O3/c22-10-9-21-7-3-15(4-8-21)18(23)20-17-13-24-12-16(17)11-14-1-5-19-6-2-14/h1-2,5-6,15-17,22H,3-4,7-13H2,(H,20,23)/t16-,17-/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 135096686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).