2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide

C17H24ClN3O2 — CID 166237814

IUPAC2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c18-15-4-2-1-3-14(15)16-12-21(9-10-23-16)17(22)20-11-13-5-7-19-8-6-13/h1-4,13,16,19H,5-12H2,(H,20,22)
InChIKeyPABVTZISZFKPOR-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.42
Rot. Bonds3

About 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide

2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide (PubChem CID 166237814) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
PubChem CID166237814
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide
SMILESO=C(NCC1CCNCC1)N1CCOC(c2ccccc2Cl)C1
InChIInChI=1S/C17H24ClN3O2/c18-15-4-2-1-3-14(15)16-12-21(9-10-23-16)17(22)20-11-13-5-7-19-8-6-13/h1-4,13,16,19H,5-12H2,(H,20,22)
InChIKeyPABVTZISZFKPOR-UHFFFAOYSA-N
XLogP2.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]morpholine-4-carboxamide
CID 95326549
2-(2-chlorophenyl)-N-(2-methylpropyl)morpholine-4-carboxamide
CID 110609422
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-(cyclopropylmethoxy)ethanone
CID 95336958
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
(2-chlorophenyl)-[2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 110326868
1-[2-(2-chlorophenyl)morpholin-4-yl]butan-1-one
CID 110326823
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-(2-methoxyphenoxy)ethanone
CID 110326874
1-[2-(2-chlorophenyl)morpholin-4-yl]-2-thiophen-2-ylethanone
CID 110326851
[4-(aminomethyl)phenyl]-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]methanone
CID 124700398
7-amino-1-[2-(2-chlorophenyl)morpholin-4-yl]heptan-1-one;hydrochloride
CID 119774901
[2-(2-chlorophenyl)morpholin-4-yl]-(4-hydroxypyrrolidin-2-yl)methanone
CID 119774918

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide (CID 166237814) is 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide is O=C(NCC1CCNCC1)N1CCOC(c2ccccc2Cl)C1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide?
The InChIKey is PABVTZISZFKPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c18-15-4-2-1-3-14(15)16-12-21(9-10-23-16)17(22)20-11-13-5-7-19-8-6-13/h1-4,13,16,19H,5-12H2,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide?
2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-(piperidin-4-ylmethyl)morpholine-4-carboxamide is sourced from PubChem (CID 166237814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).