N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide

C19H29N3O2 — CID 172891906

IUPACN-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
SMILESCc1ccccc1CN1CCCC(N(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O2/c1-16-6-3-4-7-17(16)14-21-9-5-8-18(15-21)20(2)19(23)22-10-12-24-13-11-22/h3-4,6-7,18H,5,8-15H2,1-2H3
InChIKeyOISOXRLOECWLJR-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.34
Rot. Bonds3

About N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide

N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide (PubChem CID 172891906) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
PubChem CID172891906
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC NameN-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide
SMILESCc1ccccc1CN1CCCC(N(C)C(=O)N2CCOCC2)C1
InChIInChI=1S/C19H29N3O2/c1-16-6-3-4-7-17(16)14-21-9-5-8-18(15-21)20(2)19(23)22-10-12-24-13-11-22/h3-4,6-7,18H,5,8-15H2,1-2H3
InChIKeyOISOXRLOECWLJR-UHFFFAOYSA-N
XLogP2.34
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(4-cyano-2-fluorophenyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892798
N-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172901067
4-N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-N,1-N,4-N-trimethylpiperidine-1,4-dicarboxamide
CID 42300426
N-[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidin-3-yl]-N-methylmorpholine-4-carboxamide
CID 172892101
N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-4-morpholin-4-yl-4-oxobutanamide
CID 136577829
1-[(2-methylphenyl)methyl]-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917314
N-cyclopentyl-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43918554
ethane;4-[(2-methylphenyl)methyl]morpholine
CID 142083627
[1-[(2-methylphenyl)methyl]piperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 43920515
N-methyl-N-(1-quinolin-4-ylpiperidin-3-yl)morpholine-4-carboxamide
CID 172892057
1-[(2-methylphenyl)methyl]piperidine-3-carbaldehyde
CID 62654379
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]ethanone
CID 55494144

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide (CID 172891906) is N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide is Cc1ccccc1CN1CCCC(N(C)C(=O)N2CCOCC2)C1.
What is the InChIKey of N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
The InChIKey is OISOXRLOECWLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-16-6-3-4-7-17(16)14-21-9-5-8-18(15-21)20(2)19(23)22-10-12-24-13-11-22/h3-4,6-7,18H,5,8-15H2,1-2H3.
What are the key properties of N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide?
N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 172891906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).