N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide

C19H23N3O — CID 71220844

IUPACN-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2cc(CC3CCNCC3)ccc2cn1)C1CC1
InChIInChI=1S/C19H23N3O/c23-19(15-3-4-15)22-18-11-17-10-14(1-2-16(17)12-21-18)9-13-5-7-20-8-6-13/h1-2,10-13,15,20H,3-9H2,(H,21,22,23)
InChIKeyKOACBMZRODTEQN-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.13
Rot. Bonds4

About N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide

N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide (PubChem CID 71220844) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide
PubChem CID71220844
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2cc(CC3CCNCC3)ccc2cn1)C1CC1
InChIInChI=1S/C19H23N3O/c23-19(15-3-4-15)22-18-11-17-10-14(1-2-16(17)12-21-18)9-13-5-7-20-8-6-13/h1-2,10-13,15,20H,3-9H2,(H,21,22,23)
InChIKeyKOACBMZRODTEQN-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-[(Z)-2-amino-1-[amino(methyl)amino]ethenyl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 166702363
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
6-[(3E)-penta-1,3-dien-3-yl]-N-[1-[3-(piperidin-4-ylmethyl)phenyl]ethenyl]isoquinolin-3-amine
CID 145392240
N-[1-[4-(piperidin-4-ylmethyl)phenyl]ethenyl]-6-(1-propan-2-ylpyrazol-4-yl)isoquinolin-3-amine
CID 166786843
N-[6-[6-(piperidin-4-ylamino)pyrazin-2-yl]isoquinolin-3-yl]cyclobutanecarboxamide
CID 138586342
4-[(dimethylamino)methyl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 163798960
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
3-methyl-6-(piperidin-4-ylmethyl)quinoline
CID 116997415
4-hexyl-N-isoquinolin-3-ylcyclohexane-1-carboxamide
CID 3603758
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
4-amino-N-[6-(2-methyl-1,3-oxazol-5-yl)isoquinolin-3-yl]cyclohexane-1-carboxamide
CID 138559188
N-pyrazin-2-ylpiperidine-4-carboxamide
CID 43616167

Frequently Asked Questions

What is the IUPAC name of N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide (CID 71220844) is N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide is O=C(Nc1cc2cc(CC3CCNCC3)ccc2cn1)C1CC1.
What is the InChIKey of N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide?
The InChIKey is KOACBMZRODTEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(15-3-4-15)22-18-11-17-10-14(1-2-16(17)12-21-18)9-13-5-7-20-8-6-13/h1-2,10-13,15,20H,3-9H2,(H,21,22,23).
What are the key properties of N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide?
N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(piperidin-4-ylmethyl)isoquinolin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71220844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).