1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone

C14H25N3O2 — CID 114423833

IUPAC1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)C2CC(C)CCN2)CC1
InChIInChI=1S/C14H25N3O2/c1-11-4-5-15-13(10-11)14(19)17-7-3-6-16(8-9-17)12(2)18/h11,13,15H,3-10H2,1-2H3
InChIKeySPGVZECLQMIRIR-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.46
Rot. Bonds1

About 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone

1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 114423833) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID114423833
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)C2CC(C)CCN2)CC1
InChIInChI=1S/C14H25N3O2/c1-11-4-5-15-13(10-11)14(19)17-7-3-6-16(8-9-17)12(2)18/h11,13,15H,3-10H2,1-2H3
InChIKeySPGVZECLQMIRIR-UHFFFAOYSA-N
XLogP0.46
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422546
1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
(4-hydroxy-4-methylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114424311
[(2R)-azetidin-2-yl]-(4-methylazepan-1-yl)methanone;hydrochloride
CID 130670248
azetidin-2-yl-(3-methylpiperidin-1-yl)methanone
CID 127007558
N-methyl-1-(4-methylpiperidine-2-carbonyl)piperidine-3-carboxamide
CID 103195214
(2,6-dimethylpiperidin-1-yl)-(4-methylpiperidin-2-yl)methanone
CID 114422691
4-(4-methylpiperidine-2-carbonyl)piperazin-2-one
CID 114422685
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(4-methylpiperidin-2-yl)methanone
CID 114424404
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylpiperidin-2-yl)methanone
CID 114424447
1-[4-(6-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55002784

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 114423833) is 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)C2CC(C)CCN2)CC1.
What is the InChIKey of 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is SPGVZECLQMIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-4-5-15-13(10-11)14(19)17-7-3-6-16(8-9-17)12(2)18/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone?
1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 114423833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).