(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide

C19H25N3O2 — CID 124884894

IUPAC(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C19H25N3O2/c1-14(16-6-4-5-15(11-16)12-20)21-19(23)18-13-24-10-9-22(18)17-7-2-3-8-17/h4-6,11,14,17-18H,2-3,7-10,13H2,1H3,(H,21,23)/t14-,18+/m0/s1
InChIKeyIVWVCKUIYLQSED-KBXCAEBGSA-N
MW327.43 g/mol
LogP2.38
Rot. Bonds4

About (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide

(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide (PubChem CID 124884894) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
PubChem CID124884894
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
SMILESC[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C19H25N3O2/c1-14(16-6-4-5-15(11-16)12-20)21-19(23)18-13-24-10-9-22(18)17-7-2-3-8-17/h4-6,11,14,17-18H,2-3,7-10,13H2,1H3,(H,21,23)/t14-,18+/m0/s1
InChIKeyIVWVCKUIYLQSED-KBXCAEBGSA-N
XLogP2.38
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-1-(3-cyanophenyl)ethyl]-3-(1-cyclopentylpiperidin-4-yl)urea
CID 97088779
(3S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-cyclopentylmorpholine-3-carboxamide
CID 124620774
4-(2-bromo-4-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83098057
3-[1-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]ethyl]benzonitrile
CID 65471212
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817134
3-[1-(1,4-dioxan-2-ylmethylamino)ethyl]benzonitrile
CID 54907263
4-(2-amino-3-cyanophenyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 104717017
3-[1-(1-morpholin-4-ylpropan-2-ylamino)ethyl]benzonitrile
CID 43779519
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
N-[2-[1-(3-cyanophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 115905342
3-[1-(cyclohexylmethylamino)ethyl]benzonitrile
CID 43775658
(3S)-4-cyclopentyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]morpholine-3-carboxamide
CID 124621080

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide (CID 124884894) is (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide is C[C@H](NC(=O)[C@H]1COCCN1C1CCCC1)c1cccc(C#N)c1.
What is the InChIKey of (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
The InChIKey is IVWVCKUIYLQSED-KBXCAEBGSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(16-6-4-5-15(11-16)12-20)21-19(23)18-13-24-10-9-22(18)17-7-2-3-8-17/h4-6,11,14,17-18H,2-3,7-10,13H2,1H3,(H,21,23)/t14-,18+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide?
(3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(3-cyanophenyl)ethyl]-4-cyclopentylmorpholine-3-carboxamide is sourced from PubChem (CID 124884894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).