[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

C19H27N3O4 — CID 120922370

IUPAC[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-16-4-2-15(3-5-16)17(23)21-8-10-22(11-9-21)18(24)19(14-20)6-12-26-13-7-19/h2-5H,6-14,20H2,1H3
InChIKeyATAOQNMUZBQMGW-UHFFFAOYSA-N
MW361.44 g/mol
LogP0.74
Rot. Bonds4

About [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone

[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (PubChem CID 120922370) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
PubChem CID120922370
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-25-16-4-2-15(3-5-16)17(23)21-8-10-22(11-9-21)18(24)19(14-20)6-12-26-13-7-19/h2-5H,6-14,20H2,1H3
InChIKeyATAOQNMUZBQMGW-UHFFFAOYSA-N
XLogP0.74
TPSA85.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)oxan-4-yl]-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 120920469
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 120921280
[4-[4-(methoxymethyl)piperidine-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;hydrochloride
CID 120620661
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120929707
2-amino-1-[4-(4-methoxybenzoyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120786223
[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 63341043
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
1-[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-2-methylpropan-1-one
CID 115439212
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[4-(4-methoxybenzoyl)piperazine-1-carbonyl]cyclopentane-1-carbonitrile
CID 37435722
[4-(aminomethyl)oxan-4-yl]-[4-(4-hydroxyphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120937664

Frequently Asked Questions

What is the IUPAC name of [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone (CID 120922370) is [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(=O)C3(CN)CCOCC3)CC2)cc1.
What is the InChIKey of [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
The InChIKey is ATAOQNMUZBQMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-25-16-4-2-15(3-5-16)17(23)21-8-10-22(11-9-21)18(24)19(14-20)6-12-26-13-7-19/h2-5H,6-14,20H2,1H3.
What are the key properties of [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone?
[4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone has a molecular weight of 361.44 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(aminomethyl)oxane-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 120922370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).