1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one

C18H23N3O — CID 174877630

IUPAC1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
SMILESCC(=O)Cc1cncc2ccc(CN3CCC(N)CC3)cc12
InChIInChI=1S/C18H23N3O/c1-13(22)8-16-11-20-10-15-3-2-14(9-18(15)16)12-21-6-4-17(19)5-7-21/h2-3,9-11,17H,4-8,12,19H2,1H3
InChIKeyIENXGOBAQIBQRV-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.29
Rot. Bonds4

About 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one

1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one (PubChem CID 174877630) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
PubChem CID174877630
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one
SMILESCC(=O)Cc1cncc2ccc(CN3CCC(N)CC3)cc12
InChIInChI=1S/C18H23N3O/c1-13(22)8-16-11-20-10-15-3-2-14(9-18(15)16)12-21-6-4-17(19)5-7-21/h2-3,9-11,17H,4-8,12,19H2,1H3
InChIKeyIENXGOBAQIBQRV-UHFFFAOYSA-N
XLogP2.29
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]phenyl]acetamide
CID 122495432
N-[4-[(4-aminopiperidin-1-yl)methyl]phenyl]acetamide;hydrochloride
CID 118025180
1-[(4-ethyl-3-fluorophenyl)methyl]piperidin-4-amine
CID 147437638
CID 160583707
CID 160583707
1-[1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]piperidin-4-amine
CID 167920936
tert-butyl 4-[(4-bromoisoquinolin-6-yl)methyl]piperazine-1-carboxylate
CID 122495132
[1-[(4-quinolin-2-ylisoquinolin-6-yl)methyl]piperidin-4-yl]carbamic acid
CID 122457801
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
[1-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]piperidin-4-yl]carbamic acid
CID 122457727
1-[[4-(4-chlorophenyl)cinnolin-6-yl]methyl]piperidin-4-amine
CID 122457687
1-[4-[[3-(isoquinolin-5-ylamino)pyrrolidin-1-yl]methyl]phenyl]propan-2-one
CID 59159098
1-[[4-(7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methyl]piperidin-4-amine
CID 141396568

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one?
The IUPAC name of 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one (CID 174877630) is 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one.
What is the SMILES notation for 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one?
The canonical SMILES for 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one is CC(=O)Cc1cncc2ccc(CN3CCC(N)CC3)cc12.
What is the InChIKey of 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one?
The InChIKey is IENXGOBAQIBQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-13(22)8-16-11-20-10-15-3-2-14(9-18(15)16)12-21-6-4-17(19)5-7-21/h2-3,9-11,17H,4-8,12,19H2,1H3.
What are the key properties of 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one?
1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one has a molecular weight of 297.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(4-aminopiperidin-1-yl)methyl]isoquinolin-4-yl]propan-2-one is sourced from PubChem (CID 174877630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).