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

C16H29N3O2 — CID 60937349

IUPAC(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCCC1
InChIInChI=1S/C16H29N3O2/c17-16(6-2-1-3-7-16)15(20)19-10-8-18(9-11-19)13-14-5-4-12-21-14/h14H,1-13,17H2
InChIKeyPDOARTGAQGQNJI-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.97
Rot. Bonds3

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

(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 60937349) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID60937349
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCCC1
InChIInChI=1S/C16H29N3O2/c17-16(6-2-1-3-7-16)15(20)19-10-8-18(9-11-19)13-14-5-4-12-21-14/h14H,1-13,17H2
InChIKeyPDOARTGAQGQNJI-UHFFFAOYSA-N
XLogP0.97
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(aminomethyl)cyclopentyl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 81494206
1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 23402911
2-(methylamino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869583
3-oxo-3-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230246
(1-aminocyclohexyl)-[4-(oxan-2-ylmethoxy)piperidin-1-yl]methanone
CID 119341879
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
CID 119843097
4-oxo-4-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanoic acid
CID 60662642
3-oxo-3-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]propanenitrile
CID 129498331
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
2-methoxy-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 94794263
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone (CID 60937349) is (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(CC3CCCO3)CC2)CCCCC1.
What is the InChIKey of (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is PDOARTGAQGQNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-16(6-2-1-3-7-16)15(20)19-10-8-18(9-11-19)13-14-5-4-12-21-14/h14H,1-13,17H2.
What are the key properties of (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone?
(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 295.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 60937349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).