1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide

C18H25N3O2 — CID 32719514

IUPAC1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C18H25N3O2/c1-13(18(23)20-9-7-15(8-10-20)17(19)22)21-11-6-14-4-2-3-5-16(14)12-21/h2-5,13,15H,6-12H2,1H3,(H2,19,22)/t13-/m0/s1
InChIKeyDXGCNADPORGIHM-ZDUSSCGKSA-N
MW315.42 g/mol
LogP1.16
Rot. Bonds3

About 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide

1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide (PubChem CID 32719514) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide
PubChem CID32719514
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide
SMILESC[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1
InChIInChI=1S/C18H25N3O2/c1-13(18(23)20-9-7-15(8-10-20)17(19)22)21-11-6-14-4-2-3-5-16(14)12-21/h2-5,13,15H,6-12H2,1H3,(H2,19,22)/t13-/m0/s1
InChIKeyDXGCNADPORGIHM-ZDUSSCGKSA-N
XLogP1.16
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,4,5,6-tetrahydro-1H-3-benzazocin-3-yl)propanoyl]piperidine-4-carboxamide
CID 128582925
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119518791
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 111561228
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 56821119
(3S)-1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutanoyl]pyrrolidine-3-carboxamide
CID 95589740
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;dihydrochloride
CID 119485182
1-(3-aminopiperidin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119379398
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119929241
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 119623462
1-N-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methylbutyl]piperidine-1,4-dicarboxamide
CID 33413147
(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 97125171
1-(1,4-diazepan-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one;dihydrochloride
CID 119416321

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide (CID 32719514) is 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide is C[C@@H](C(=O)N1CCC(C(N)=O)CC1)N1CCc2ccccc2C1.
What is the InChIKey of 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide?
The InChIKey is DXGCNADPORGIHM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13(18(23)20-9-7-15(8-10-20)17(19)22)21-11-6-14-4-2-3-5-16(14)12-21/h2-5,13,15H,6-12H2,1H3,(H2,19,22)/t13-/m0/s1.
What are the key properties of 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide?
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 32719514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).