4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide

C16H32N4O2 — CID 128834260

IUPAC4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)CCC1CCN(C(=O)NCC2CNCCCO2)CC1
InChIInChI=1S/C16H32N4O2/c1-19(2)8-4-14-5-9-20(10-6-14)16(21)18-13-15-12-17-7-3-11-22-15/h14-15,17H,3-13H2,1-2H3,(H,18,21)
InChIKeyLSOKGPLJUQLBNQ-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.74
Rot. Bonds5

About 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide

4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide (PubChem CID 128834260) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide
PubChem CID128834260
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide
SMILESCN(C)CCC1CCN(C(=O)NCC2CNCCCO2)CC1
InChIInChI=1S/C16H32N4O2/c1-19(2)8-4-14-5-9-20(10-6-14)16(21)18-13-15-12-17-7-3-11-22-15/h14-15,17H,3-13H2,1-2H3,(H,18,21)
InChIKeyLSOKGPLJUQLBNQ-UHFFFAOYSA-N
XLogP0.74
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
CID 128834356
4-methyl-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 75864044
2,2-dimethyl-N-(1,4-oxazepan-2-ylmethyl)-3,5-dihydro-1,4-benzoxazepine-4-carboxamide
CID 128834459
(2S,3S)-N-(1,4-oxazepan-2-ylmethyl)-3-(trifluoromethyl)bicyclo[2.2.2]octane-2-carboxamide
CID 128882661
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(oxolan-2-ylmethyl)piperidine-1-carboxamide
CID 50809703
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001877
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,4-diazepane-1-carboxamide
CID 29001880
4-(2-cyano-3-fluorophenyl)-N-(1,4-oxazepan-2-ylmethyl)piperazine-1-carboxamide
CID 128834281
N-(piperidin-3-ylmethyl)azepane-1-carboxamide
CID 79152631
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-morpholin-2-ylethanone
CID 66428289
4-(4-methylpiperidine-1-carbonyl)-N-[[(2S)-oxolan-2-yl]methyl]piperidine-1-carboxamide
CID 95339170
N,N-dimethyl-2-[1-[2-[(2R)-oxolan-2-yl]ethylsulfonyl]piperidin-4-yl]ethanamine
CID 97339756

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide (CID 128834260) is 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide is CN(C)CCC1CCN(C(=O)NCC2CNCCCO2)CC1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide?
The InChIKey is LSOKGPLJUQLBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-19(2)8-4-14-5-9-20(10-6-14)16(21)18-13-15-12-17-7-3-11-22-15/h14-15,17H,3-13H2,1-2H3,(H,18,21).
What are the key properties of 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide?
4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide has a molecular weight of 312.46 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-N-(1,4-oxazepan-2-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 128834260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).