[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone

C16H30N4O — CID 80552459

IUPAC[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)N3CCCCCC3)C2)CC1
InChIInChI=1S/C16H30N4O/c17-14-5-10-18(11-6-14)15-7-12-20(13-15)16(21)19-8-3-1-2-4-9-19/h14-15H,1-13,17H2
InChIKeyPIUZVWRWHGTVCJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.48
Rot. Bonds1

About [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone (PubChem CID 80552459) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
PubChem CID80552459
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone
SMILESNC1CCN(C2CCN(C(=O)N3CCCCCC3)C2)CC1
InChIInChI=1S/C16H30N4O/c17-14-5-10-18(11-6-14)15-7-12-20(13-15)16(21)19-8-3-1-2-4-9-19/h14-15H,1-13,17H2
InChIKeyPIUZVWRWHGTVCJ-UHFFFAOYSA-N
XLogP1.48
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 80553884
(3S)-1-(4-aminopiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81125729
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl(piperidin-1-yl)methanone
CID 113234472
(4-aminopiperidin-1-yl)-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119376301
(3R)-1-(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120190
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 80552639
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-2-cyclobutylethanone
CID 103165068
1-[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]propan-1-one
CID 80553918
di(piperidin-1-yl)methanone;1-methylpiperidin-4-amine
CID 174339916
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
3-(4-aminopiperidin-1-yl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 80553937
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762

Frequently Asked Questions

What is the IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone?
The IUPAC name of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone (CID 80552459) is [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone.
What is the SMILES notation for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone?
The canonical SMILES for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone is NC1CCN(C2CCN(C(=O)N3CCCCCC3)C2)CC1.
What is the InChIKey of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone?
The InChIKey is PIUZVWRWHGTVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c17-14-5-10-18(11-6-14)15-7-12-20(13-15)16(21)19-8-3-1-2-4-9-19/h14-15H,1-13,17H2.
What are the key properties of [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone?
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone has a molecular weight of 294.44 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(azepan-1-yl)methanone is sourced from PubChem (CID 80552459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).