[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

C16H29N3O2 — CID 81494206

IUPAC[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCC1
InChIInChI=1S/C16H29N3O2/c17-13-16(5-1-2-6-16)15(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h14H,1-13,17H2
InChIKeyAMGORULUBGQCFK-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds4

About [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone

[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 81494206) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID81494206
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNCC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCC1
InChIInChI=1S/C16H29N3O2/c17-13-16(5-1-2-6-16)15(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h14H,1-13,17H2
InChIKeyAMGORULUBGQCFK-UHFFFAOYSA-N
XLogP0.83
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937349
[4-[1-(aminomethyl)cyclopentanecarbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119683329
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
cyclobutyl-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 94794131
2-amino-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 54869581
[1-(aminomethyl)cyclopentyl]-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81203715
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
[1-(aminomethyl)cyclopentyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55038317
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
5-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentan-1-amine
CID 43253069
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 81494206) is [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is NCC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCC1.
What is the InChIKey of [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is AMGORULUBGQCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-13-16(5-1-2-6-16)15(20)19-9-7-18(8-10-19)12-14-4-3-11-21-14/h14H,1-13,17H2.
What are the key properties of [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 81494206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).