N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide

C18H27N3O2 — CID 119844969

IUPACN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-4-2-3-10-21(14)13-15-5-7-16(8-6-15)20-18(22)17-12-19-9-11-23-17/h5-8,14,17,19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZPFXWNLASQRYDX-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.99
Rot. Bonds4

About N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide (PubChem CID 119844969) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
PubChem CID119844969
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide
SMILESCC1CCCCN1Cc1ccc(NC(=O)C2CNCCO2)cc1
InChIInChI=1S/C18H27N3O2/c1-14-4-2-3-10-21(14)13-15-5-7-16(8-6-15)20-18(22)17-12-19-9-11-23-17/h5-8,14,17,19H,2-4,9-13H2,1H3,(H,20,22)
InChIKeyZPFXWNLASQRYDX-UHFFFAOYSA-N
XLogP1.99
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119844976
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
(2R)-N-[4-[[(2S)-2-methylpiperidin-1-yl]methyl]phenyl]-5-oxopyrrolidine-2-carboxamide
CID 98784893
2-methyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]propanamide
CID 47288928
N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]morpholine-2-carboxamide
CID 119761357
3-[4-(morpholine-2-carbonylamino)phenyl]propanoic acid
CID 115340051
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119845294
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
(2S)-2-amino-3,3-dimethyl-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 119844945
(2R,3S)-2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 120938878
N-[3-[(2-carbamoylpyrrolidin-1-yl)methyl]phenyl]morpholine-2-carboxamide;dihydrochloride
CID 119856261

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide (CID 119844969) is N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide is CC1CCCCN1Cc1ccc(NC(=O)C2CNCCO2)cc1.
What is the InChIKey of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide?
The InChIKey is ZPFXWNLASQRYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-4-2-3-10-21(14)13-15-5-7-16(8-6-15)20-18(22)17-12-19-9-11-23-17/h5-8,14,17,19H,2-4,9-13H2,1H3,(H,20,22).
What are the key properties of N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide?
N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119844969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).