3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride

C16H30ClN3O2 — CID 119488758

IUPAC3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNC(=O)CCC2CCCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-17-14-7-4-10-19(12-14)16(21)11-18-15(20)9-8-13-5-2-3-6-13;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyDCWSJDDSDCWGGM-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.71
Rot. Bonds6

About 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride

3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride (PubChem CID 119488758) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
PubChem CID119488758
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
SMILESCNC1CCCN(C(=O)CNC(=O)CCC2CCCC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-17-14-7-4-10-19(12-14)16(21)11-18-15(20)9-8-13-5-2-3-6-13;/h13-14,17H,2-12H2,1H3,(H,18,20);1H
InChIKeyDCWSJDDSDCWGGM-UHFFFAOYSA-N
XLogP1.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
3-cyclopentyl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81424634
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-[3-(methylamino)piperidin-1-yl]-3-(oxan-4-yl)propan-1-one
CID 119493887
3-cyclopentyl-N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride
CID 119622386
3-cyclopentyl-N-[2-oxo-2-(3-piperazin-1-ylpyrrolidin-1-yl)ethyl]propanamide;hydrochloride
CID 120995316
4-[2-(3-cyclopentylpropanoylamino)acetyl]morpholine-2-carboxylic acid
CID 119239938
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
N-[2-(3-aminopiperidin-1-yl)-2-oxoethyl]-4-methylpentanamide
CID 119378154

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride?
The IUPAC name of 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride (CID 119488758) is 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride.
What is the SMILES notation for 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride?
The canonical SMILES for 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride is CNC1CCCN(C(=O)CNC(=O)CCC2CCCC2)C1.Cl.
What is the InChIKey of 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride?
The InChIKey is DCWSJDDSDCWGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-17-14-7-4-10-19(12-14)16(21)11-18-15(20)9-8-13-5-2-3-6-13;/h13-14,17H,2-12H2,1H3,(H,18,20);1H.
What are the key properties of 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride?
3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-[3-(methylamino)piperidin-1-yl]-2-oxoethyl]propanamide;hydrochloride is sourced from PubChem (CID 119488758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).