N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide

C13H20N4O2 — CID 108862362

IUPACN-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide
SMILESN#C/C(=C/N(C=O)CCCN)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-5-4-6-16(11-18)10-12(9-15)13(19)17-7-2-1-3-8-17/h10-11H,1-8,14H2/b12-10-
InChIKeyCPJFOVMHGGXZSE-BENRWUELSA-N
MW264.33 g/mol
LogP0.21
Rot. Bonds6

About N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide

N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide (PubChem CID 108862362) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide
PubChem CID108862362
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide
SMILESN#C/C(=C/N(C=O)CCCN)C(=O)N1CCCCC1
InChIInChI=1S/C13H20N4O2/c14-5-4-6-16(11-18)10-12(9-15)13(19)17-7-2-1-3-8-17/h10-11H,1-8,14H2/b12-10-
InChIKeyCPJFOVMHGGXZSE-BENRWUELSA-N
XLogP0.21
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-N-[(Z)-3-(4-benzylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]formamide
CID 108861616
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 108839350
(Z)-2-[4-(2-aminoethyl)piperazine-1-carbonyl]-3-piperidin-1-ylprop-2-enenitrile
CID 108863866
N-[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]-N-(2-aminoethyl)acetamide
CID 108841238
2-[[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]amino]acetic acid
CID 108862214
(Z)-3-(tert-butylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862197
(Z)-3-[3-aminopropyl(formyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828939
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525
ethyl N-[(Z)-3-(4-acetylpiperazin-1-yl)-2-cyano-3-oxoprop-1-enyl]-N-(2-aminoethyl)carbamate
CID 108841343
N-(3-aminopropyl)-N-methylpyrrolidine-1-carboxamide
CID 79160813
(Z)-2-(4-acetylpiperazine-1-carbonyl)-3-[butyl(methyl)amino]prop-2-enenitrile
CID 108841199
(Z)-3-(5-hydroxypentylamino)-2-(piperidine-1-carbonyl)prop-2-enenitrile
CID 108862331

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide?
The IUPAC name of N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide (CID 108862362) is N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide.
What is the SMILES notation for N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide?
The canonical SMILES for N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide is N#C/C(=C/N(C=O)CCCN)C(=O)N1CCCCC1.
What is the InChIKey of N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide?
The InChIKey is CPJFOVMHGGXZSE-BENRWUELSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-5-4-6-16(11-18)10-12(9-15)13(19)17-7-2-1-3-8-17/h10-11H,1-8,14H2/b12-10-.
What are the key properties of N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide?
N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide has a molecular weight of 264.33 g/mol, XLogP of 0.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-[(Z)-2-cyano-3-oxo-3-piperidin-1-ylprop-1-enyl]formamide is sourced from PubChem (CID 108862362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).