N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide

C12H22N2O — CID 25236585

IUPACN-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)14-7-5-11(6-8-14)13-12(15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyMBVVATOWIXECSH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.39
Rot. Bonds3

About N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide

N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide (PubChem CID 25236585) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
PubChem CID25236585
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide
SMILESCC(C)N1CCC(NC(=O)C2CC2)CC1
InChIInChI=1S/C12H22N2O/c1-9(2)14-7-5-11(6-8-14)13-12(15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyMBVVATOWIXECSH-UHFFFAOYSA-N
XLogP1.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide?
The IUPAC name of N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide (CID 25236585) is N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide is CC(C)N1CCC(NC(=O)C2CC2)CC1.
What is the InChIKey of N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide?
The InChIKey is MBVVATOWIXECSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-9(2)14-7-5-11(6-8-14)13-12(15)10-3-4-10/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide?
N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpiperidin-4-yl)cyclopropanecarboxamide is sourced from PubChem (CID 25236585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).