N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide

C17H26N4O2 — CID 108830488

IUPACN-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESCN(C(=O)/C(C#N)=C\NC(=O)C1CCNCC1)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-21(15-5-3-2-4-6-15)17(23)14(11-18)12-20-16(22)13-7-9-19-10-8-13/h12-13,15,19H,2-10H2,1H3,(H,20,22)/b14-12-
InChIKeyCSJCJWXQFGPYHS-OWBHPGMISA-N
MW318.42 g/mol
LogP1.30
Rot. Bonds4

About N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide

N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide (PubChem CID 108830488) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
PubChem CID108830488
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide
SMILESCN(C(=O)/C(C#N)=C\NC(=O)C1CCNCC1)C1CCCCC1
InChIInChI=1S/C17H26N4O2/c1-21(15-5-3-2-4-6-15)17(23)14(11-18)12-20-16(22)13-7-9-19-10-8-13/h12-13,15,19H,2-10H2,1H3,(H,20,22)/b14-12-
InChIKeyCSJCJWXQFGPYHS-OWBHPGMISA-N
XLogP1.30
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.30
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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Related Compounds

(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)-N-methylprop-2-enamide
CID 108830473
(Z)-3-(butan-2-ylamino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830256
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(propylamino)prop-2-enamide
CID 108830218
(Z)-2-cyano-N-cyclohexyl-N-methyl-3-(3-methylbutylamino)prop-2-enamide
CID 108830504
(Z)-2-cyano-N-cyclohexyl-3-(2,2-dimethoxyethylamino)-N-methylprop-2-enamide
CID 108830445
(Z)-3-(4-aminoanilino)-2-cyano-N-cyclohexyl-N-methylprop-2-enamide
CID 108830212
(Z)-2-cyano-N-cyclohexyl-3-(4-iodoanilino)-N-methylprop-2-enamide
CID 108830485
N-[(Z)-2-cyano-3-(2-methylpropylamino)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108833086
N-[(Z)-2-cyano-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108862047
N-[(Z)-2-cyano-3-(4-methylpiperidin-1-yl)-3-oxoprop-1-enyl]piperidine-4-carboxamide
CID 108831972
(Z)-2-cyano-N-cyclohexyl-3-(4-hydroxy-2-methylanilino)-N-methylprop-2-enamide
CID 108830280
(Z)-2-cyano-N-cyclohexyl-3-[(1,1-dioxothiolan-3-yl)amino]-N-methylprop-2-enamide
CID 108830410

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The IUPAC name of N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide (CID 108830488) is N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide is CN(C(=O)/C(C#N)=C\NC(=O)C1CCNCC1)C1CCCCC1.
What is the InChIKey of N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide?
The InChIKey is CSJCJWXQFGPYHS-OWBHPGMISA-N. The full InChI is InChI=1S/C17H26N4O2/c1-21(15-5-3-2-4-6-15)17(23)14(11-18)12-20-16(22)13-7-9-19-10-8-13/h12-13,15,19H,2-10H2,1H3,(H,20,22)/b14-12-.
What are the key properties of N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide?
N-[(Z)-2-cyano-3-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.30, 4 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-[cyclohexyl(methyl)amino]-3-oxoprop-1-enyl]piperidine-4-carboxamide is sourced from PubChem (CID 108830488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).