N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide

C18H25N3O3 — CID 119711808

IUPACN-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)C2CNCCO2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-6-9-21(10-7-13)18(23)14-4-2-3-5-15(14)20-17(22)16-12-19-8-11-24-16/h2-5,13,16,19H,6-12H2,1H3,(H,20,22)
InChIKeyBNXIDIYHAJLUTG-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.49
Rot. Bonds3

About N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide

N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide (PubChem CID 119711808) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
PubChem CID119711808
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)C2CNCCO2)CC1
InChIInChI=1S/C18H25N3O3/c1-13-6-9-21(10-7-13)18(23)14-4-2-3-5-15(14)20-17(22)16-12-19-8-11-24-16/h2-5,13,16,19H,6-12H2,1H3,(H,20,22)
InChIKeyBNXIDIYHAJLUTG-UHFFFAOYSA-N
XLogP1.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(pyrrolidine-1-carbonylamino)phenyl]morpholine-2-carboxamide
CID 119736053
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 4939416
N-(2-methylsulfanylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119674752
[2-(4-methylpiperidine-1-carbonyl)phenyl]thiourea
CID 169356775
N-[2-(piperidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119685018
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
3-amino-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide
CID 119711788
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
(2S)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 27151651
N-[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]morpholine-2-carboxamide
CID 119852924
ethyl 4-[2-[[(2S)-oxolane-2-carbonyl]amino]benzoyl]piperazine-1-carboxylate
CID 27161050
2-[2-(4-methylpiperidine-1-carbonyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168607156

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide (CID 119711808) is N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide is CC1CCN(C(=O)c2ccccc2NC(=O)C2CNCCO2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The InChIKey is BNXIDIYHAJLUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-6-9-21(10-7-13)18(23)14-4-2-3-5-15(14)20-17(22)16-12-19-8-11-24-16/h2-5,13,16,19H,6-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119711808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).