N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide

C15H27N3O2 — CID 65227239

IUPACN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(C)C(CN)C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-10(2)13(9-16)15(20)18-7-5-12(6-8-18)17-14(19)11-3-4-11/h10-13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyBOHGRJNKOWFGCW-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.73
Rot. Bonds5

About N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 65227239) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID65227239
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCC(C)C(CN)C(=O)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C15H27N3O2/c1-10(2)13(9-16)15(20)18-7-5-12(6-8-18)17-14(19)11-3-4-11/h10-13H,3-9,16H2,1-2H3,(H,17,19)
InChIKeyBOHGRJNKOWFGCW-UHFFFAOYSA-N
XLogP0.73
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
N-[1-(2,2-dichloroacetyl)piperidin-4-yl]cyclopropanecarboxamide
CID 108561745
2-(aminomethyl)-3-methyl-1-(4-methylazepan-1-yl)butan-1-one
CID 63622833
4-(cyclopropanecarbonylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 108561749
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
CID 25236585
N-[1-(2-ethylbutanoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 60550291
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-3-yl]acetamide
CID 65227144
ethyl 4-[[4-(propan-2-ylcarbamoyl)cyclohexanecarbonyl]amino]piperidine-1-carboxylate
CID 109144510
2-(aminomethyl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 63164816
N-(1-butanoylpiperidin-4-yl)cyclopropanecarboxamide
CID 60758370
N-[1-[2-(tert-butylamino)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 112730369
2-(aminomethyl)-N-(1-tert-butylpiperidin-4-yl)-3-methylbutanamide
CID 65230009

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide (CID 65227239) is N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide is CC(C)C(CN)C(=O)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is BOHGRJNKOWFGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-10(2)13(9-16)15(20)18-7-5-12(6-8-18)17-14(19)11-3-4-11/h10-13H,3-9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 281.40 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(aminomethyl)-3-methylbutanoyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 65227239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).