N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide

C20H31N3O — CID 86842455

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CC1c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C20H31N3O/c1-15(2)19(23-11-9-22(3)10-12-23)14-21-20(24)18-13-17(18)16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3,(H,21,24)
InChIKeyYQYBDYRQRZMRKR-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.18
Rot. Bonds6

About N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 86842455) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID86842455
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
SMILESCC(C)C(CNC(=O)C1CC1c1ccccc1)N1CCN(C)CC1
InChIInChI=1S/C20H31N3O/c1-15(2)19(23-11-9-22(3)10-12-23)14-21-20(24)18-13-17(18)16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3,(H,21,24)
InChIKeyYQYBDYRQRZMRKR-UHFFFAOYSA-N
XLogP2.18
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
CID 60763644
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylsulfanylacetamide
CID 86984968
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
CID 66235852
N-(3-amino-2-hydroxy-3-oxopropyl)-2-phenylcyclopropane-1-carboxamide
CID 107261035
1-[(2S)-3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(2-propan-2-ylphenyl)urea
CID 95594910
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
cis-(1S,2R)-N-[2-(dimethylamino)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 40540857
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
CID 102779046
N-[[1-(dimethylamino)cyclopentyl]methyl]-2-phenylcyclopropane-1-carboxamide
CID 75537852
1-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-3-(pyridin-4-ylmethyl)urea
CID 56813976

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide (CID 86842455) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide is CC(C)C(CNC(=O)C1CC1c1ccccc1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is YQYBDYRQRZMRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-15(2)19(23-11-9-22(3)10-12-23)14-21-20(24)18-13-17(18)16-7-5-4-6-8-16/h4-8,15,17-19H,9-14H2,1-3H3,(H,21,24).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 86842455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).