N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide

C19H27N3O3 — CID 119753458

IUPACN-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C1CNCCO1
InChIInChI=1S/C19H27N3O3/c1-13-4-3-8-22(12-13)19(24)15-5-6-16(14(2)10-15)21-18(23)17-11-20-7-9-25-17/h5-6,10,13,17,20H,3-4,7-9,11-12H2,1-2H3,(H,21,23)
InChIKeyYKEMLLSSFUVWLV-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.79
Rot. Bonds3

About N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide

N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide (PubChem CID 119753458) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
PubChem CID119753458
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
SMILESCc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C1CNCCO1
InChIInChI=1S/C19H27N3O3/c1-13-4-3-8-22(12-13)19(24)15-5-6-16(14(2)10-15)21-18(23)17-11-20-7-9-25-17/h5-6,10,13,17,20H,3-4,7-9,11-12H2,1-2H3,(H,21,23)
InChIKeyYKEMLLSSFUVWLV-UHFFFAOYSA-N
XLogP1.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide
CID 119759921
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119755679
(4-hydrazinyl-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 63212098
N-(4-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671690
1,5-dimethyl-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]pyrrole-2-carboxamide
CID 126768610
N-(2,4-dimethylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048965
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide
CID 119711808
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
3-amino-N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119753451
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-(4-chloro-2-methylphenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048988

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The IUPAC name of N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide (CID 119753458) is N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide.
What is the SMILES notation for N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The canonical SMILES for N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide is Cc1cc(C(=O)N2CCCC(C)C2)ccc1NC(=O)C1CNCCO1.
What is the InChIKey of N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
The InChIKey is YKEMLLSSFUVWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13-4-3-8-22(12-13)19(24)15-5-6-16(14(2)10-15)21-18(23)17-11-20-7-9-25-17/h5-6,10,13,17,20H,3-4,7-9,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide?
N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(3-methylpiperidine-1-carbonyl)phenyl]morpholine-2-carboxamide is sourced from PubChem (CID 119753458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).