acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide

C17H33N3O6 — CID 154909480

IUPACacetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)O.CC(=O)O.CN1CCOCC(CNC(=O)C2CCNCC2)C1
InChIInChI=1S/C13H25N3O2.2C2H4O2/c1-16-6-7-18-10-11(9-16)8-15-13(17)12-2-4-14-5-3-12;2*1-2(3)4/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H3,(H,3,4)
InChIKeyDTSSSKMFVMNBPF-UHFFFAOYSA-N
MW375.47 g/mol
LogP-0.14
Rot. Bonds3

About acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide

acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide (PubChem CID 154909480) has the molecular formula C17H33N3O6 and a molecular weight of 375.47 g/mol. Its IUPAC name is acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Nameacetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide
PubChem CID154909480
Molecular FormulaC17H33N3O6
Molecular Weight375.47 g/mol
Exact Mass375.24
IUPAC Nameacetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide
SMILESCC(=O)O.CC(=O)O.CN1CCOCC(CNC(=O)C2CCNCC2)C1
InChIInChI=1S/C13H25N3O2.2C2H4O2/c1-16-6-7-18-10-11(9-16)8-15-13(17)12-2-4-14-5-3-12;2*1-2(3)4/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H3,(H,3,4)
InChIKeyDTSSSKMFVMNBPF-UHFFFAOYSA-N
XLogP-0.14
TPSA128.20 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide with MolForge

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Related Compounds

ethane;1-methyl-N-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 144702617
N-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidine-3-carboxamide
CID 63006550
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N-[(3-hydroxycyclobutyl)methyl]piperidine-4-carboxamide
CID 66006145
N-(1-methylpyrrolidin-3-yl)piperidine-4-carboxamide
CID 61465348
N-[(1-methylpyrrolidin-3-yl)methyl]-2-piperidin-4-ylacetamide
CID 60855593
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589491
(3R)-N-(oxan-3-ylmethyl)piperidine-3-carboxamide
CID 81128117
4-amino-N-[(4-methylmorpholin-2-yl)methyl]cyclohexane-1-carboxamide
CID 79081947
N-[(2-methylcyclopropyl)methyl]piperidine-4-carboxamide
CID 115733780
(3R)-N-(azetidin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 131181581

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide (CID 154909480) is acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide is CC(=O)O.CC(=O)O.CN1CCOCC(CNC(=O)C2CCNCC2)C1.
What is the InChIKey of acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide?
The InChIKey is DTSSSKMFVMNBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2C2H4O2/c1-16-6-7-18-10-11(9-16)8-15-13(17)12-2-4-14-5-3-12;2*1-2(3)4/h11-12,14H,2-10H2,1H3,(H,15,17);2*1H3,(H,3,4).
What are the key properties of acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide?
acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of -0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-[(4-methyl-1,4-oxazepan-6-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 154909480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).