3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

C17H33ClN4O2 — CID 119418872

IUPAC3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N2CCCNCC2)C1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-14(2)12-19-17(23)21-8-3-5-15(13-21)11-16(22)20-9-4-6-18-7-10-20;/h14-15,18H,3-13H2,1-2H3,(H,19,23);1H
InChIKeyFWJWOGCKRBOPCH-UHFFFAOYSA-N
MW360.93 g/mol
LogP1.70
Rot. Bonds4

About 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride

3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 119418872) has the molecular formula C17H33ClN4O2 and a molecular weight of 360.93 g/mol. Its IUPAC name is 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
PubChem CID119418872
Molecular FormulaC17H33ClN4O2
Molecular Weight360.93 g/mol
Exact Mass360.23
IUPAC Name3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(CC(=O)N2CCCNCC2)C1.Cl
InChIInChI=1S/C17H32N4O2.ClH/c1-14(2)12-19-17(23)21-8-3-5-15(13-21)11-16(22)20-9-4-6-18-7-10-20;/h14-15,18H,3-13H2,1-2H3,(H,19,23);1H
InChIKeyFWJWOGCKRBOPCH-UHFFFAOYSA-N
XLogP1.70
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]pyrrolidine-3-carboxylic acid
CID 120952869
3-[2-[methyl(piperidin-4-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119444654
N-(2-methylpropyl)-3-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 119464761
3-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119664765
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752
3-[2-[3-(2-aminoethylcarbamoyl)piperidin-1-yl]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
CID 119482486
2-[1-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]amino]cyclobutyl]acetic acid
CID 119217371
3-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 120507437
3-[(2-methylpropanoylamino)methyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 71840428
(3R)-N-(2-methylpropyl)-3-[2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]piperidine-1-carboxamide
CID 97073545
2-[[2-[1-(2-methylpropylcarbamoyl)piperidin-3-yl]acetyl]-propan-2-ylamino]acetic acid
CID 119198157
3-(3-methylpiperazine-1-carbonyl)-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119578508

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (CID 119418872) is 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(CC(=O)N2CCCNCC2)C1.Cl.
What is the InChIKey of 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is FWJWOGCKRBOPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2.ClH/c1-14(2)12-19-17(23)21-8-3-5-15(13-21)11-16(22)20-9-4-6-18-7-10-20;/h14-15,18H,3-13H2,1-2H3,(H,19,23);1H.
What are the key properties of 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 119418872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).