1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide

C18H21N3O — CID 123710620

IUPAC1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc3ccc(N4CCCCC4)cc3cn2)CC1
InChIInChI=1S/C18H21N3O/c19-17(22)18(6-7-18)16-11-13-4-5-15(10-14(13)12-20-16)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H2,19,22)
InChIKeyFCMVUFOUEPKZDT-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.74
Rot. Bonds3

About 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide

1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide (PubChem CID 123710620) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide
PubChem CID123710620
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide
SMILESNC(=O)C1(c2cc3ccc(N4CCCCC4)cc3cn2)CC1
InChIInChI=1S/C18H21N3O/c19-17(22)18(6-7-18)16-11-13-4-5-15(10-14(13)12-20-16)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H2,19,22)
InChIKeyFCMVUFOUEPKZDT-UHFFFAOYSA-N
XLogP2.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxylic acid
CID 112558554
formamide;1-naphthalen-2-ylpiperidine
CID 175550918
1-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758467
6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
3-[1-methyl-5-(6-piperidin-1-ylnaphthalen-2-yl)pyrrol-2-yl]prop-2-enamide
CID 175912283
4-pyrrolidin-1-ylisoquinoline-6-carboxamide
CID 58495819
(E)-4-(6-pyrrolidin-1-ylnaphthalen-2-yl)but-3-en-2-one
CID 25266481
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
CID 58426575

Frequently Asked Questions

What is the IUPAC name of 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide (CID 123710620) is 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide is NC(=O)C1(c2cc3ccc(N4CCCCC4)cc3cn2)CC1.
What is the InChIKey of 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide?
The InChIKey is FCMVUFOUEPKZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-17(22)18(6-7-18)16-11-13-4-5-15(10-14(13)12-20-16)21-8-2-1-3-9-21/h4-5,10-12H,1-3,6-9H2,(H2,19,22).
What are the key properties of 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide?
1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-piperidin-1-ylisoquinolin-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 123710620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).