2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide

C17H31N3O — CID 104677721

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESNCC1(CC(=O)NC2CCN(C3CC3)CC2)CCCCC1
InChIInChI=1S/C17H31N3O/c18-13-17(8-2-1-3-9-17)12-16(21)19-14-6-10-20(11-7-14)15-4-5-15/h14-15H,1-13,18H2,(H,19,21)
InChIKeyLVWAUQYETLPQQS-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.03
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (PubChem CID 104677721) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
PubChem CID104677721
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide
SMILESNCC1(CC(=O)NC2CCN(C3CC3)CC2)CCCCC1
InChIInChI=1S/C17H31N3O/c18-13-17(8-2-1-3-9-17)12-16(21)19-14-6-10-20(11-7-14)15-4-5-15/h14-15H,1-13,18H2,(H,19,21)
InChIKeyLVWAUQYETLPQQS-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpyrrolidin-3-yl)acetamide
CID 104678068
2-[1-(aminomethyl)cyclohexyl]-N-cyclohexylacetamide
CID 104677352
N-(4-aminocyclohexyl)-2-[1-(aminomethyl)cyclohexyl]acetamide
CID 104678121
2-[1-(aminomethyl)cyclohexyl]-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]acetamide
CID 104677736
2-[1-(aminomethyl)cyclohexyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 104677414
2-[1-(aminomethyl)cyclohexyl]-N-(1-ethylpiperidin-3-yl)acetamide
CID 104677930
2-[1-(aminomethyl)cyclobutyl]-N-(1,1-dioxothian-3-yl)acetamide
CID 81168499
N-(1-cyclopropylpyrrolidin-3-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242656
2-[1-(aminomethyl)cyclobutyl]-N-(4-methylsulfanylcyclohexyl)acetamide
CID 114123049
2-chloro-N-(1-cyclopropylpiperidin-4-yl)acetamide
CID 43424767
4-amino-N-(1-cyclopropylpiperidin-4-yl)butanamide
CID 43711759
2-[1-(aminomethyl)cyclohexyl]-N-(1-methyl-2-oxopyrrolidin-3-yl)acetamide
CID 104844467

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide (CID 104677721) is 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide is NCC1(CC(=O)NC2CCN(C3CC3)CC2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
The InChIKey is LVWAUQYETLPQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c18-13-17(8-2-1-3-9-17)12-16(21)19-14-6-10-20(11-7-14)15-4-5-15/h14-15H,1-13,18H2,(H,19,21).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide has a molecular weight of 293.45 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(1-cyclopropylpiperidin-4-yl)acetamide is sourced from PubChem (CID 104677721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).