(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

C16H29ClN4O2 — CID 119376301

IUPAC(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C16H28N4O2.ClH/c17-14-5-10-18(11-6-14)15(21)13-4-3-9-20(12-13)16(22)19-7-1-2-8-19;/h13-14H,1-12,17H2;1H
InChIKeyMGRHUBYOUGKXEB-UHFFFAOYSA-N
MW344.89 g/mol
LogP1.29
Rot. Bonds1

About (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride

(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (PubChem CID 119376301) has the molecular formula C16H29ClN4O2 and a molecular weight of 344.89 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
PubChem CID119376301
Molecular FormulaC16H29ClN4O2
Molecular Weight344.89 g/mol
Exact Mass344.20
IUPAC Name(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
SMILESCl.NC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1
InChIInChI=1S/C16H28N4O2.ClH/c17-14-5-10-18(11-6-14)15(21)13-4-3-9-20(12-13)16(22)19-7-1-2-8-19;/h13-14H,1-12,17H2;1H
InChIKeyMGRHUBYOUGKXEB-UHFFFAOYSA-N
XLogP1.29
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.89
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
(4-aminopiperidin-1-yl)-[(3R)-1-methylpiperidin-3-yl]methanone
CID 129493268
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
CID 80552459
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
tert-butyl 3-(4-aminopiperidine-1-carbonyl)piperidine-1-carboxylate
CID 50986434
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
N-(4-aminocyclohexyl)-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119478354
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
di(piperidin-1-yl)methanone;1-methylpiperidin-4-amine
CID 174339916

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride (CID 119376301) is (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is Cl.NC1CCN(C(=O)C2CCCN(C(=O)N3CCCC3)C2)CC1.
What is the InChIKey of (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
The InChIKey is MGRHUBYOUGKXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.ClH/c17-14-5-10-18(11-6-14)15(21)13-4-3-9-20(12-13)16(22)19-7-1-2-8-19;/h13-14H,1-12,17H2;1H.
What are the key properties of (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride?
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride has a molecular weight of 344.89 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 119376301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).