N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

C15H23N5O2 — CID 108862047

IUPACN-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESCN1CCN(C(=O)/C(C#N)=C\NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-6-8-20(9-7-19)15(22)13(10-16)11-18-14(21)12-2-4-17-5-3-12/h11-12,17H,2-9H2,1H3,(H,18,21)/b13-11-
InChIKeyRGIRZNGGVPCISP-QBFSEMIESA-N
MW305.38 g/mol
LogP-0.72
Rot. Bonds3

About N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide

N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (PubChem CID 108862047) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
PubChem CID108862047
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESCN1CCN(C(=O)/C(C#N)=C\NC(=O)C2CCNCC2)CC1
InChIInChI=1S/C15H23N5O2/c1-19-6-8-20(9-7-19)15(22)13(10-16)11-18-14(21)12-2-4-17-5-3-12/h11-12,17H,2-9H2,1H3,(H,18,21)/b13-11-
InChIKeyRGIRZNGGVPCISP-QBFSEMIESA-N
XLogP-0.72
TPSA88.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

N-[(Z)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108831972
N-[(Z)-2-cyano-3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108834945
(Z)-3-(butan-2-ylamino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 108861815
N-[(Z)-2-cyano-3-(2-methylpropylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108833086
ethane;(4-methylpiperazin-1-yl)-piperidin-4-ylmethanone
CID 176554643
(Z)-3-(3,5-dimethylanilino)-2-(4-methylpiperazine-1-carbonyl)prop-2-enenitrile
CID 108862023
N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108830488
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enenitrile
CID 108862002
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-piperidin-1-ylprop-2-enenitrile
CID 108861890
(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819820
(Z)-3-(cycloheptylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108820032
(Z)-2-(4-methylpiperazine-1-carbonyl)-3-(4-methylpiperazin-1-yl)prop-2-enenitrile
CID 108861889

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide (CID 108862047) is N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is CN1CCN(C(=O)/C(C#N)=C\NC(=O)C2CCNCC2)CC1.
What is the InChIKey of N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The InChIKey is RGIRZNGGVPCISP-QBFSEMIESA-N. The full InChI is InChI=1S/C15H23N5O2/c1-19-6-8-20(9-7-19)15(22)13(10-16)11-18-14(21)12-2-4-17-5-3-12/h11-12,17H,2-9H2,1H3,(H,18,21)/b13-11-.
What are the key properties of N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide?
N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108862047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).