(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C18H28ClN3O2 — CID 122081400

IUPAC(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CCO1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-12-21(8-9-23-14)13-16-5-2-4-15(10-16)11-20-18(22)17-6-3-7-19-17;/h2,4-5,10,14,17,19H,3,6-9,11-13H2,1H3,(H,20,22);1H/t14?,17-;/m0./s1
InChIKeyZGBIHOHQCSQHTP-UXRSAYELSA-N
MW353.89 g/mol
LogP1.70
Rot. Bonds5

About (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 122081400) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID122081400
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC Name(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CCO1.Cl
InChIInChI=1S/C18H27N3O2.ClH/c1-14-12-21(8-9-23-14)13-16-5-2-4-15(10-16)11-20-18(22)17-6-3-7-19-17;/h2,4-5,10,14,17,19H,3,6-9,11-13H2,1H3,(H,20,22);1H/t14?,17-;/m0./s1
InChIKeyZGBIHOHQCSQHTP-UXRSAYELSA-N
XLogP1.70
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]piperidine-2-carboxamide
CID 119864239
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763
(2S)-N-[[3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide
CID 100647209
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119864301
2-amino-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864242
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119867361
2-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]propanamide;dihydrochloride
CID 119864244
1-[[3-[[(2S)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 124839884
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119864272
1-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylurea
CID 60586672
N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62439094
3-amino-2-methyl-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119864258

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 122081400) is (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CC1CN(Cc2cccc(CNC(=O)[C@@H]3CCCN3)c2)CCO1.Cl.
What is the InChIKey of (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ZGBIHOHQCSQHTP-UXRSAYELSA-N. The full InChI is InChI=1S/C18H27N3O2.ClH/c1-14-12-21(8-9-23-14)13-16-5-2-4-15(10-16)11-20-18(22)17-6-3-7-19-17;/h2,4-5,10,14,17,19H,3,6-9,11-13H2,1H3,(H,20,22);1H/t14?,17-;/m0./s1.
What are the key properties of (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 353.89 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[3-[(2-methylmorpholin-4-yl)methyl]phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 122081400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).