N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

C19H22N4O2 — CID 108834945

IUPACN-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/NC(=O)C1CCNCC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N4O2/c20-12-16(13-22-18(24)15-7-9-21-10-8-15)19(25)23-11-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15,21H,3,5,7-11H2,(H,22,24)/b16-13-
InChIKeyPCLQFVUELQTLKI-SSZFMOIBSA-N
MW338.41 g/mol
LogP1.49
Rot. Bonds3

About N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (PubChem CID 108834945) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
PubChem CID108834945
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESN#C/C(=C/NC(=O)C1CCNCC1)C(=O)N1CCCc2ccccc21
InChIInChI=1S/C19H22N4O2/c20-12-16(13-22-18(24)15-7-9-21-10-8-15)19(25)23-11-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15,21H,3,5,7-11H2,(H,22,24)/b16-13-
InChIKeyPCLQFVUELQTLKI-SSZFMOIBSA-N
XLogP1.49
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (CID 108834945) is N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is N#C/C(=C/NC(=O)C1CCNCC1)C(=O)N1CCCc2ccccc21.
What is the InChIKey of N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The InChIKey is PCLQFVUELQTLKI-SSZFMOIBSA-N. The full InChI is InChI=1S/C19H22N4O2/c20-12-16(13-22-18(24)15-7-9-21-10-8-15)19(25)23-11-3-5-14-4-1-2-6-17(14)23/h1-2,4,6,13,15,21H,3,5,7-11H2,(H,22,24)/b16-13-.
What are the key properties of N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108834945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).