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

C22H33N3O2 — CID 135107430

IUPAC1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c26-22(18-8-12-25(13-9-18)20-4-2-1-3-5-20)24-21-16-27-15-19(21)14-17-6-10-23-11-7-17/h6-7,10-11,18-21H,1-5,8-9,12-16H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyWJMSMPYFFXFDMN-TZIWHRDSSA-N
MW371.53 g/mol
LogP2.80
Rot. Bonds5

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

1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 135107430) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
PubChem CID135107430
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide
SMILESO=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H33N3O2/c26-22(18-8-12-25(13-9-18)20-4-2-1-3-5-20)24-21-16-27-15-19(21)14-17-6-10-23-11-7-17/h6-7,10-11,18-21H,1-5,8-9,12-16H2,(H,24,26)/t19-,21-/m1/s1
InChIKeyWJMSMPYFFXFDMN-TZIWHRDSSA-N
XLogP2.80
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(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-(2-oxopiperidin-1-yl)-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 134698289
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

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide (CID 135107430) is 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is WJMSMPYFFXFDMN-TZIWHRDSSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-22(18-8-12-25(13-9-18)20-4-2-1-3-5-20)24-21-16-27-15-19(21)14-17-6-10-23-11-7-17/h6-7,10-11,18-21H,1-5,8-9,12-16H2,(H,24,26)/t19-,21-/m1/s1.
What are the key properties of 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide?
1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 135107430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).