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

C14H27N3O — CID 60763644

IUPACN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
SMILESCC(C)C(CNC(=O)C1CC1)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)13(10-15-14(18)12-4-5-12)17-8-6-16(3)7-9-17/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyPNKLAVKOOKZIMN-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.78
Rot. Bonds5

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

N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide (PubChem CID 60763644) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
PubChem CID60763644
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide
SMILESCC(C)C(CNC(=O)C1CC1)N1CCN(C)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)13(10-15-14(18)12-4-5-12)17-8-6-16(3)7-9-17/h11-13H,4-10H2,1-3H3,(H,15,18)
InChIKeyPNKLAVKOOKZIMN-UHFFFAOYSA-N
XLogP0.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclohexane-1-carboxamide
CID 79519601
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
3-methyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]pyrrolidine-2-carboxamide
CID 102779046
3-[[3-methyl-2-(4-methylpiperazin-1-yl)butyl]amino]-3-oxopropanoic acid
CID 55049690
4-amino-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]oxolane-3-carboxamide
CID 66235852
2-ethyl-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]butanamide
CID 110403103
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 86984966
1-(1-hydroxypropan-2-yl)-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 110895658
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-2-phenylcyclopropane-1-carboxamide
CID 86842455
N-(3-methyl-2-piperidin-1-ylbutyl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110402891
N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 52608858
2,3-dimethyl-4-[(3-methyl-2-pyrrolidin-1-ylbutyl)amino]-4-oxobut-2-enoic acid
CID 76992850

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide (CID 60763644) is N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide is CC(C)C(CNC(=O)C1CC1)N1CCN(C)CC1.
What is the InChIKey of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide?
The InChIKey is PNKLAVKOOKZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)13(10-15-14(18)12-4-5-12)17-8-6-16(3)7-9-17/h11-13H,4-10H2,1-3H3,(H,15,18).
What are the key properties of N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide?
N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopropanecarboxamide has a molecular weight of 253.39 g/mol, XLogP of 0.78, 5 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]cyclopropanecarboxamide is sourced from PubChem (CID 60763644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).