N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide

C18H32N4O — CID 154670101

IUPACN-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC2(CCN(CCN3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H32N4O/c1-3-17(23)19-16-14-18(15-16)4-6-21(7-5-18)12-13-22-10-8-20(2)9-11-22/h3,16H,1,4-15H2,2H3,(H,19,23)
InChIKeyJMRCZDCIQOVFJM-UHFFFAOYSA-N
MW320.48 g/mol
LogP0.78
Rot. Bonds5

About N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide

N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide (PubChem CID 154670101) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide
PubChem CID154670101
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide
SMILESC=CC(=O)NC1CC2(CCN(CCN3CCN(C)CC3)CC2)C1
InChIInChI=1S/C18H32N4O/c1-3-17(23)19-16-14-18(15-16)4-6-21(7-5-18)12-13-22-10-8-20(2)9-11-22/h3,16H,1,4-15H2,2H3,(H,19,23)
InChIKeyJMRCZDCIQOVFJM-UHFFFAOYSA-N
XLogP0.78
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1,2,2,6,6-pentamethylpiperidin-4-yl)prop-2-enamide
CID 12991967
N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 61251540
N-(7-methyl-7-azaspiro[3.5]nonan-2-yl)pentanamide
CID 176954039
2-methyl-N-[7-[3-(4-propan-2-ylpiperazin-1-yl)propanoyl]-7-azaspiro[3.5]nonan-2-yl]propanamide
CID 154670547
N-[(3S)-1-methylpiperidin-3-yl]prop-2-enamide
CID 118137431
N-(1-ethylpyrrolidin-3-yl)prop-2-enamide
CID 130959352
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
3-[2-(cyclopropylamino)-7-azaspiro[3.5]nonan-7-yl]propanoic acid
CID 138711748
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
N-(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)prop-2-enamide
CID 155732764
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]prop-2-enamide
CID 43700635

Frequently Asked Questions

What is the IUPAC name of N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide?
The IUPAC name of N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide (CID 154670101) is N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide.
What is the SMILES notation for N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide?
The canonical SMILES for N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide is C=CC(=O)NC1CC2(CCN(CCN3CCN(C)CC3)CC2)C1.
What is the InChIKey of N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide?
The InChIKey is JMRCZDCIQOVFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-3-17(23)19-16-14-18(15-16)4-6-21(7-5-18)12-13-22-10-8-20(2)9-11-22/h3,16H,1,4-15H2,2H3,(H,19,23).
What are the key properties of N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide?
N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide has a molecular weight of 320.48 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[2-(4-methylpiperazin-1-yl)ethyl]-7-azaspiro[3.5]nonan-2-yl]prop-2-enamide is sourced from PubChem (CID 154670101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).