N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide

C15H28N4O3 — CID 146087642

IUPACN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)N2CCCOCC2)CC1
InChIInChI=1S/C15H28N4O3/c1-17(2)14(20)12-18-7-4-13(5-8-18)16-15(21)19-6-3-10-22-11-9-19/h13H,3-12H2,1-2H3,(H,16,21)
InChIKeyWTGRJYULAPGDBJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP-0.03
Rot. Bonds3

About N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide

N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide (PubChem CID 146087642) has the molecular formula C15H28N4O3 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
PubChem CID146087642
Molecular FormulaC15H28N4O3
Molecular Weight312.41 g/mol
Exact Mass312.22
IUPAC NameN-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide
SMILESCN(C)C(=O)CN1CCC(NC(=O)N2CCCOCC2)CC1
InChIInChI=1S/C15H28N4O3/c1-17(2)14(20)12-18-7-4-13(5-8-18)16-15(21)19-6-3-10-22-11-9-19/h13H,3-12H2,1-2H3,(H,16,21)
InChIKeyWTGRJYULAPGDBJ-UHFFFAOYSA-N
XLogP-0.03
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-1,4-oxazepane-4-carboxamide
CID 115597922
2-[4-(cycloheptylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43767045
2-[4-(cyclohexylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 43755989
N-(4-ethylcyclohexyl)morpholine-4-carboxamide
CID 115589164
N-(4-methylcyclohexyl)-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916127
N-[1-(4-methylpiperidine-1-carbonyl)piperidin-4-yl]morpholine-4-carboxamide
CID 126821611
N-[3-(morpholine-4-carbonylamino)cyclohexyl]morpholine-4-carboxamide
CID 171722453
2-[4-(2,2-difluoroethylamino)piperidin-1-yl]-N,N-dimethylacetamide
CID 113303615
N-[(3S)-1-[methyl(phenyl)carbamoyl]azepan-3-yl]morpholine-4-carboxamide
CID 96571011
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 60600680
N,N-dimethyl-2-[4-[(2-methyloxolan-3-yl)amino]piperidin-1-yl]acetamide
CID 115338674
2-[4-(methylamino)piperidin-1-yl]-1-morpholin-4-ylethanone;hydrochloride
CID 119923636

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide?
The IUPAC name of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide (CID 146087642) is N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide?
The canonical SMILES for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide is CN(C)C(=O)CN1CCC(NC(=O)N2CCCOCC2)CC1.
What is the InChIKey of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide?
The InChIKey is WTGRJYULAPGDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O3/c1-17(2)14(20)12-18-7-4-13(5-8-18)16-15(21)19-6-3-10-22-11-9-19/h13H,3-12H2,1-2H3,(H,16,21).
What are the key properties of N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide?
N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide has a molecular weight of 312.41 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)-2-oxoethyl]piperidin-4-yl]-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 146087642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).