(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile

C12H17N3O — CID 108862405

IUPAC(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/NC1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17N3O/c13-8-10(9-14-11-4-5-11)12(16)15-6-2-1-3-7-15/h9,11,14H,1-7H2/b10-9-
InChIKeyUOHNXTSCDMIXDE-KTKRTIGZSA-N
MW219.29 g/mol
LogP1.16
Rot. Bonds3

About (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile

(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile (PubChem CID 108862405) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
PubChem CID108862405
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
SMILESN#C/C(=C/NC1CC1)C(=O)N1CCCCC1
InChIInChI=1S/C12H17N3O/c13-8-10(9-14-11-4-5-11)12(16)15-6-2-1-3-7-15/h9,11,14H,1-7H2/b10-9-
InChIKeyUOHNXTSCDMIXDE-KTKRTIGZSA-N
XLogP1.16
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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
1-[(Z)-2-cyano-3-(cyclopentylamino)prop-2-enoyl]piperidine-4-carboxylic acid
CID 108832116
(Z)-3-(cyclohexylamino)-2-(piperazine-1-carbonyl)prop-2-enenitrile
CID 108819820
ethyl 1-[(Z)-2-cyano-3-(cyclopentylamino)prop-2-enoyl]piperidine-4-carboxylate
CID 108831005
(Z)-3-(tert-butylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862197
(Z)-3-(cyclopropylamino)-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]prop-2-enenitrile
CID 108854994
2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]acetic acid
CID 108862214
(Z)-2-cyano-N-cyclohexyl-3-(cyclopropylamino)prop-2-enamide
CID 108831586
2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]propanoic acid
CID 108862216
(Z)-3-(4-nitroanilino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862238
(Z)-3-(5-hydroxypentylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862331
(Z)-3-(3-ethoxypropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862187

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile (CID 108862405) is (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile is N#C/C(=C/NC1CC1)C(=O)N1CCCCC1.
What is the InChIKey of (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
The InChIKey is UOHNXTSCDMIXDE-KTKRTIGZSA-N. The full InChI is InChI=1S/C12H17N3O/c13-8-10(9-14-11-4-5-11)12(16)15-6-2-1-3-7-15/h9,11,14H,1-7H2/b10-9-.
What are the key properties of (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile?
(Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile has a molecular weight of 219.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(cyclopropylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 108862405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).