(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide

C17H25N3O2 — CID 97041956

IUPAC(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)Nc2ccc(CN3CCCC3)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-19-10-11-22-16(13-19)17(21)18-15-6-4-14(5-7-15)12-20-8-2-3-9-20/h4-7,16H,2-3,8-13H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyJPLHJJZIOGDWFJ-INIZCTEOSA-N
MW303.41 g/mol
LogP1.55
Rot. Bonds4

About (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide

(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide (PubChem CID 97041956) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
PubChem CID97041956
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide
SMILESCN1CCO[C@H](C(=O)Nc2ccc(CN3CCCC3)cc2)C1
InChIInChI=1S/C17H25N3O2/c1-19-10-11-22-16(13-19)17(21)18-15-6-4-14(5-7-15)12-20-8-2-3-9-20/h4-7,16H,2-3,8-13H2,1H3,(H,18,21)/t16-/m0/s1
InChIKeyJPLHJJZIOGDWFJ-INIZCTEOSA-N
XLogP1.55
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-phenylmorpholine-2-carboxamide
CID 20524995
(2R)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]oxolane-2-carboxamide
CID 94118926
N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]-4-methylmorpholine-2-carboxamide
CID 154779710
(2S)-N-[(3S,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-4-methylmorpholine-2-carboxamide
CID 124732140
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 114327805
N-(3-fluoro-4-methylsulfinylphenyl)-4-methylmorpholine-2-carboxamide
CID 75470295
3-amino-N-[4-(azepan-1-ylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119867921
4-methyl-N-[4-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]morpholine-2-carboxamide
CID 127412838
(2R)-4-[3-(azepan-1-yl)propanoyl]-N-phenylmorpholine-2-carboxamide
CID 92633187
(2S)-N-[4-(4-benzylpiperazin-1-yl)phenyl]oxolane-2-carboxamide
CID 35893855
N-[4-(morpholin-4-ylmethyl)phenyl]oxane-3-carboxamide
CID 102557414

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide (CID 97041956) is (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide is CN1CCO[C@H](C(=O)Nc2ccc(CN3CCCC3)cc2)C1.
What is the InChIKey of (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide?
The InChIKey is JPLHJJZIOGDWFJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-10-11-22-16(13-19)17(21)18-15-6-4-14(5-7-15)12-20-8-2-3-9-20/h4-7,16H,2-3,8-13H2,1H3,(H,18,21)/t16-/m0/s1.
What are the key properties of (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide?
(2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 97041956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).