1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride

C16H30ClN3O2 — CID 119423719

IUPAC1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC(CN)CC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-2-4-15(20)19-8-3-5-14(12-19)16(21)18-9-6-13(11-17)7-10-18;/h13-14H,2-12,17H2,1H3;1H
InChIKeyVFCRTVVRVNCBGW-UHFFFAOYSA-N
MW331.89 g/mol
LogP1.64
Rot. Bonds4

About 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride

1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119423719) has the molecular formula C16H30ClN3O2 and a molecular weight of 331.89 g/mol. Its IUPAC name is 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119423719
Molecular FormulaC16H30ClN3O2
Molecular Weight331.89 g/mol
Exact Mass331.20
IUPAC Name1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCCC(=O)N1CCCC(C(=O)N2CCC(CN)CC2)C1.Cl
InChIInChI=1S/C16H29N3O2.ClH/c1-2-4-15(20)19-8-3-5-14(12-19)16(21)18-9-6-13(11-17)7-10-18;/h13-14H,2-12,17H2,1H3;1H
InChIKeyVFCRTVVRVNCBGW-UHFFFAOYSA-N
XLogP1.64
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.89
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
[4-(aminomethyl)piperidin-1-yl]-cyclobutylmethanone;hydrochloride
CID 53256357
1-[3-[4-(cyclohexylmethyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]butan-1-one
CID 55955082
1-[3-[4-(1-oxo-1-piperidin-1-ylpropan-2-yl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one
CID 86890817
N-(3-aminopropyl)-1-butanoylpiperidine-3-carboxamide;hydrochloride
CID 119407805
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997252
4-(1-butanoylpiperidine-3-carbonyl)morpholine-2-carboxamide
CID 49416925
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119260304
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
(2S)-1-(1-butanoylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119365358
1-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone;hydrochloride
CID 119487183

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride (CID 119423719) is 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is CCCC(=O)N1CCCC(C(=O)N2CCC(CN)CC2)C1.Cl.
What is the InChIKey of 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is VFCRTVVRVNCBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2.ClH/c1-2-4-15(20)19-8-3-5-14(12-19)16(21)18-9-6-13(11-17)7-10-18;/h13-14H,2-12,17H2,1H3;1H.
What are the key properties of 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride?
1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 331.89 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119423719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).