(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile

C14H22N4O — CID 108819820

IUPAC(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/NC1CCCCC1)C(=O)N1CCNCC1
InChIInChI=1S/C14H22N4O/c15-10-12(11-17-13-4-2-1-3-5-13)14(19)18-8-6-16-7-9-18/h11,13,16-17H,1-9H2/b12-11-
InChIKeyGBGHEMJWBSESBH-QXMHVHEDSA-N
MW262.36 g/mol
LogP0.75
Rot. Bonds3

About (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile

(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile (PubChem CID 108819820) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
PubChem CID108819820
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/NC1CCCCC1)C(=O)N1CCNCC1
InChIInChI=1S/C14H22N4O/c15-10-12(11-17-13-4-2-1-3-5-13)14(19)18-8-6-16-7-9-18/h11,13,16-17H,1-9H2/b12-11-
InChIKeyGBGHEMJWBSESBH-QXMHVHEDSA-N
XLogP0.75
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.75
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)-3-(cycloheptylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108820032
(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862405
1-[(Z)-2-cyano-3-(cyclopentylamino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832116
ethyl 1-[(Z)-2-cyano-3-(cyclopentylamino)prop-2-enoyl]piperidine-4-carboxylate
CID 108831005
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
(Z)-3-(cyclopropylamino)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108854994
N-[3-[[(Z)-2-cyano-3-oxo-3-piperazin-1-ylprop-1-enyl]amino]propyl]formamide
CID 108820003
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
1-[(Z)-2-cyano-3-oxo-3-piperazin-1-ylprop-1-enyl]piperidine-4-carboxylic acid
CID 108819822
(Z)-3-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108820083
2-[[(Z)-2-cyano-3-(cycloheptylamino)prop-2-enoyl]amino]acetic acid
CID 108844174

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile (CID 108819820) is (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile is N#C/C(=C/NC1CCCCC1)C(=O)N1CCNCC1.
What is the InChIKey of (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile?
The InChIKey is GBGHEMJWBSESBH-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H22N4O/c15-10-12(11-17-13-4-2-1-3-5-13)14(19)18-8-6-16-7-9-18/h11,13,16-17H,1-9H2/b12-11-.
What are the key properties of (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile?
(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile has a molecular weight of 262.36 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108819820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).