N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide

C12H21N3O2 — CID 115452571

IUPACN-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2(CN)CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-9(16)15-6-2-10(3-7-15)14-11(17)12(8-13)4-5-12/h10H,2-8,13H2,1H3,(H,14,17)
InChIKeyCQOLMQOCSOHDIV-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.15
Rot. Bonds3

About N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide

N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide (PubChem CID 115452571) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
PubChem CID115452571
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide
SMILESCC(=O)N1CCC(NC(=O)C2(CN)CC2)CC1
InChIInChI=1S/C12H21N3O2/c1-9(16)15-6-2-10(3-7-15)14-11(17)12(8-13)4-5-12/h10H,2-8,13H2,1H3,(H,14,17)
InChIKeyCQOLMQOCSOHDIV-UHFFFAOYSA-N
XLogP-0.15
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide (CID 115452571) is N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide is CC(=O)N1CCC(NC(=O)C2(CN)CC2)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
The InChIKey is CQOLMQOCSOHDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9(16)15-6-2-10(3-7-15)14-11(17)12(8-13)4-5-12/h10H,2-8,13H2,1H3,(H,14,17).
What are the key properties of N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide?
N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-1-(aminomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115452571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).