1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

C24H34N6O — CID 146513179

IUPAC1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESC=Nc1c(C#N)ccc(N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c1/C=C\C
InChIInChI=1S/C24H34N6O/c1-4-5-21-22(7-6-20(18-25)23(21)26-2)30-11-8-19(9-12-30)24(31)27-10-13-29-16-14-28(3)15-17-29/h4-7,19H,2,8-17H2,1,3H3,(H,27,31)/b5-4-
InChIKeyVUHCJWHZDPJMOH-PLNGDYQASA-N
MW422.58 g/mol
LogP2.50
Rot. Bonds7

About 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide

1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (PubChem CID 146513179) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
PubChem CID146513179
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
SMILESC=Nc1c(C#N)ccc(N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c1/C=C\C
InChIInChI=1S/C24H34N6O/c1-4-5-21-22(7-6-20(18-25)23(21)26-2)30-11-8-19(9-12-30)24(31)27-10-13-29-16-14-28(3)15-17-29/h4-7,19H,2,8-17H2,1,3H3,(H,27,31)/b5-4-
InChIKeyVUHCJWHZDPJMOH-PLNGDYQASA-N
XLogP2.50
TPSA74.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(8-cyanoquinolin-5-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 129266493
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(6-pyrrolidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 46297885
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
CID 133373440
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-(7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-yl)piperidine-4-carboxamide
CID 20912538
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039
1-(4-cyano-2-fluorophenyl)-N-[2-(propanoylamino)ethyl]piperidine-4-carboxamide
CID 166286739
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 61296551
1-(5-bromo-2-cyanophenyl)-N-methylpiperidine-4-carboxamide
CID 114901547
1-benzoyl-N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 154800157
N-[2-(4-methylpiperazin-1-yl)ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 22578144
1-(2-nitrophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55933323

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide (CID 146513179) is 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is C=Nc1c(C#N)ccc(N2CCC(C(=O)NCCN3CCN(C)CC3)CC2)c1/C=C\C.
What is the InChIKey of 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VUHCJWHZDPJMOH-PLNGDYQASA-N. The full InChI is InChI=1S/C24H34N6O/c1-4-5-21-22(7-6-20(18-25)23(21)26-2)30-11-8-19(9-12-30)24(31)27-10-13-29-16-14-28(3)15-17-29/h4-7,19H,2,8-17H2,1,3H3,(H,27,31)/b5-4-.
What are the key properties of 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide?
1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 422.58 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyano-3-(methylideneamino)-2-[(Z)-prop-1-enyl]phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 146513179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).