N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide

C16H29N3O3 — CID 119738374

IUPACN-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H29N3O3/c1-3-4-8-18(2)15(20)13-5-9-19(10-6-13)16(21)14-12-22-11-7-17-14/h13-14,17H,3-12H2,1-2H3
InChIKeyLMUQCFGAGRIEOB-UHFFFAOYSA-N
MW311.43 g/mol
LogP0.47
Rot. Bonds5

About N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide

N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 119738374) has the molecular formula C16H29N3O3 and a molecular weight of 311.43 g/mol. Its IUPAC name is N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
PubChem CID119738374
Molecular FormulaC16H29N3O3
Molecular Weight311.43 g/mol
Exact Mass311.22
IUPAC NameN-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)C2COCCN2)CC1
InChIInChI=1S/C16H29N3O3/c1-3-4-8-18(2)15(20)13-5-9-19(10-6-13)16(21)14-12-22-11-7-17-14/h13-14,17H,3-12H2,1-2H3
InChIKeyLMUQCFGAGRIEOB-UHFFFAOYSA-N
XLogP0.47
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide (CID 119738374) is N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)C2COCCN2)CC1.
What is the InChIKey of N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is LMUQCFGAGRIEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O3/c1-3-4-8-18(2)15(20)13-5-9-19(10-6-13)16(21)14-12-22-11-7-17-14/h13-14,17H,3-12H2,1-2H3.
What are the key properties of N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide?
N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 311.43 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-1-(morpholine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 119738374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).