1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

C21H31N3O3 — CID 134713666

IUPAC1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H31N3O3/c25-20(21(6-2-1-3-7-21)24-10-12-26-13-11-24)23-19-16-27-15-18(19)14-17-4-8-22-9-5-17/h4-5,8-9,18-19H,1-3,6-7,10-16H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyPEECYGNIMSPXOV-RTBURBONSA-N
MW373.50 g/mol
LogP1.79
Rot. Bonds5

About 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide

1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (PubChem CID 134713666) has the molecular formula C21H31N3O3 and a molecular weight of 373.50 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
PubChem CID134713666
Molecular FormulaC21H31N3O3
Molecular Weight373.50 g/mol
Exact Mass373.24
IUPAC Name1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(N2CCOCC2)CCCCC1
InChIInChI=1S/C21H31N3O3/c25-20(21(6-2-1-3-7-21)24-10-12-26-13-11-24)23-19-16-27-15-18(19)14-17-4-8-22-9-5-17/h4-5,8-9,18-19H,1-3,6-7,10-16H2,(H,23,25)/t18-,19-/m1/s1
InChIKeyPEECYGNIMSPXOV-RTBURBONSA-N
XLogP1.79
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-methyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 134709446
1-amino-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 154918766
2-methyl-2-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]propanamide
CID 134705556
1-pyrrolidin-1-yl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135090695
4-piperidin-1-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 135096933
2-oxo-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]-2-pyrrolidin-1-ylacetamide
CID 135094092
2-morpholin-4-yl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]benzamide
CID 134705560
N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclopentanecarboxamide
CID 135107014
2-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
CID 135107430
2-cyclopentyl-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135101855
4-hydroxy-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide
CID 135111249

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide (CID 134713666) is 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
The InChIKey is PEECYGNIMSPXOV-RTBURBONSA-N. The full InChI is InChI=1S/C21H31N3O3/c25-20(21(6-2-1-3-7-21)24-10-12-26-13-11-24)23-19-16-27-15-18(19)14-17-4-8-22-9-5-17/h4-5,8-9,18-19H,1-3,6-7,10-16H2,(H,23,25)/t18-,19-/m1/s1.
What are the key properties of 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide?
1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134713666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).