[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone

C19H28N2O2 — CID 97023605

IUPAC[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C19H28N2O2/c1-16-6-5-10-21(11-9-16)19(22)18-15-20(12-13-23-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18+/m1/s1
InChIKeyCSDCIZVAPJPMLB-AEFFLSMTSA-N
MW316.44 g/mol
LogP2.54
Rot. Bonds3

About [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone

[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone (PubChem CID 97023605) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone.

Molecular Properties

Compound Name[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
PubChem CID97023605
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone
SMILESC[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1
InChIInChI=1S/C19H28N2O2/c1-16-6-5-10-21(11-9-16)19(22)18-15-20(12-13-23-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18+/m1/s1
InChIKeyCSDCIZVAPJPMLB-AEFFLSMTSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylmorpholin-2-yl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119395506
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017
1-(4-benzylmorpholine-2-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 136527577
[4-[(3-fluorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800439
[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800618
1-methyl-4-[[2-(pyrrolidine-1-carbonyl)morpholin-4-yl]methyl]pyridin-2-one
CID 155974237
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
[(2S)-4-benzylmorpholin-2-yl]-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]methanone
CID 97082294
(4-benzylmorpholin-2-yl)-(2,3-dimethylpiperazin-1-yl)methanone
CID 120572360
[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-piperidin-1-ylmethanone
CID 110246430
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone?
The IUPAC name of [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone (CID 97023605) is [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone.
What is the SMILES notation for [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone?
The canonical SMILES for [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone is C[C@@H]1CCCN(C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1.
What is the InChIKey of [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone?
The InChIKey is CSDCIZVAPJPMLB-AEFFLSMTSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-16-6-5-10-21(11-9-16)19(22)18-15-20(12-13-23-18)14-17-7-3-2-4-8-17/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18+/m1/s1.
What are the key properties of [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone?
[(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone has a molecular weight of 316.44 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-benzylmorpholin-2-yl]-[(4R)-4-methylazepan-1-yl]methanone is sourced from PubChem (CID 97023605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).