4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one

C16H27N3O2 — CID 66432134

IUPAC4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
SMILESCc1ccc(CN(C)C(CN)CC(=O)N2CCCCC2)o1
InChIInChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)12-18(2)14(11-17)10-16(20)19-8-4-3-5-9-19/h6-7,14H,3-5,8-12,17H2,1-2H3
InChIKeyNXRXICHSUQOIAL-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.75
Rot. Bonds6

About 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one

4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one (PubChem CID 66432134) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one.

Molecular Properties

Compound Name4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
PubChem CID66432134
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one
SMILESCc1ccc(CN(C)C(CN)CC(=O)N2CCCCC2)o1
InChIInChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)12-18(2)14(11-17)10-16(20)19-8-4-3-5-9-19/h6-7,14H,3-5,8-12,17H2,1-2H3
InChIKeyNXRXICHSUQOIAL-UHFFFAOYSA-N
XLogP1.75
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432322
4-amino-3-(dimethylamino)-1-piperidin-1-ylbutan-1-one
CID 66430292
3-[methyl-[(5-methylfuran-2-yl)methyl]amino]pentanoic acid
CID 63067752
4-amino-3-[methyl(propan-2-yl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432922
4-amino-3-(diethylamino)-1-piperidin-1-ylbutan-1-one
CID 66432336
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772
4-amino-3-[methyl(1-thiophen-2-ylethyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66432546
4-amino-3-[cycloheptyl(methyl)amino]-1-piperidin-1-ylbutan-1-one
CID 66430294
3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]pentane-1,3-diamine
CID 43526109
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
1-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclobutane-1-carboxamide
CID 81179940
4-amino-3-[butan-2-yl(ethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432111

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one?
The IUPAC name of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one (CID 66432134) is 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one.
What is the SMILES notation for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one?
The canonical SMILES for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one is Cc1ccc(CN(C)C(CN)CC(=O)N2CCCCC2)o1.
What is the InChIKey of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one?
The InChIKey is NXRXICHSUQOIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-13-6-7-15(21-13)12-18(2)14(11-17)10-16(20)19-8-4-3-5-9-19/h6-7,14H,3-5,8-12,17H2,1-2H3.
What are the key properties of 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one?
4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one has a molecular weight of 293.41 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-piperidin-1-ylbutan-1-one is sourced from PubChem (CID 66432134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).