[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone

C16H29N3O2 — CID 62367937

IUPAC[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESNCC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1
InChIInChI=1S/C16H29N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-13,17H2
InChIKeySHYZFAWGPMIMQZ-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.83
Rot. Bonds3

About [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone

[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone (PubChem CID 62367937) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
PubChem CID62367937
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone
SMILESNCC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1
InChIInChI=1S/C16H29N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-13,17H2
InChIKeySHYZFAWGPMIMQZ-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone with MolForge

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Related Compounds

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[1-(aminomethyl)cycloheptyl]methanone
CID 79938168
4-(4-cyclopentylpiperazine-1-carbonyl)oxane-4-carbonitrile
CID 62368811
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[4-(aminomethyl)oxan-4-yl]methanone;hydrochloride
CID 120933101
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
[4-(aminomethyl)oxan-4-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624832
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
[4-(aminomethyl)oxan-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 120921219
(3S)-1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-3-carboxylic acid
CID 115439749
[1-(aminomethyl)cyclopropyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 115452907
4-[4-(aminomethyl)oxane-4-carbonyl]-N,N-diethylpiperazine-1-carboxamide
CID 120923590
[4-(aminomethyl)oxan-4-yl]-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 120939311

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The IUPAC name of [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone (CID 62367937) is [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone is NCC1(C(=O)N2CCN(C3CCCC3)CC2)CCOCC1.
What is the InChIKey of [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
The InChIKey is SHYZFAWGPMIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c17-13-16(5-11-21-12-6-16)15(20)19-9-7-18(8-10-19)14-3-1-2-4-14/h14H,1-13,17H2.
What are the key properties of [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone?
[4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone has a molecular weight of 295.43 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)oxan-4-yl]-(4-cyclopentylpiperazin-1-yl)methanone is sourced from PubChem (CID 62367937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).