1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride

C17H32ClN3O2 — CID 119516970

IUPAC1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-6-16(21)20-10-5-4-7-15(20)17(22)19-11-8-14(9-12-19)13(2)18;/h13-15H,3-12,18H2,1-2H3;1H
InChIKeyYNBQRGVFBBPSFJ-UHFFFAOYSA-N
MW345.92 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride

1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119516970) has the molecular formula C17H32ClN3O2 and a molecular weight of 345.92 g/mol. Its IUPAC name is 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119516970
Molecular FormulaC17H32ClN3O2
Molecular Weight345.92 g/mol
Exact Mass345.22
IUPAC Name1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCCC1C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H31N3O2.ClH/c1-3-6-16(21)20-10-5-4-7-15(20)17(22)19-11-8-14(9-12-19)13(2)18;/h13-15H,3-12,18H2,1-2H3;1H
InChIKeyYNBQRGVFBBPSFJ-UHFFFAOYSA-N
XLogP2.18
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.92
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride with MolForge

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Related Compounds

1-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119592957
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
[4-(1-aminoethyl)piperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-2-yl]methanone;hydrochloride
CID 119517343
(2R)-1-(1-butanoylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 145005819
1-[2-[3-(methylamino)piperidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 119487872
1-[2-(1,1-dioxo-1,4-thiazepane-4-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 127304661
2-[acetyl-[1-(1-butanoylpyrrolidine-2-carbonyl)azepan-4-yl]amino]acetic acid
CID 120606291
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (CID 119516970) is 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCCC1C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is YNBQRGVFBBPSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.ClH/c1-3-6-16(21)20-10-5-4-7-15(20)17(22)19-11-8-14(9-12-19)13(2)18;/h13-15H,3-12,18H2,1-2H3;1H.
What are the key properties of 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 345.92 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119516970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).