cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone

C15H27NO — CID 58430914

IUPACcyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)C1(C(C)C)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27NO/c1-11(2)15(12(3)4)7-9-16(10-8-15)14(17)13-5-6-13/h11-13H,5-10H2,1-4H3
InChIKeyPTGUEULCYPVPGD-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.32
Rot. Bonds3

About cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone

cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone (PubChem CID 58430914) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone
PubChem CID58430914
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namecyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone
SMILESCC(C)C1(C(C)C)CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C15H27NO/c1-11(2)15(12(3)4)7-9-16(10-8-15)14(17)13-5-6-13/h11-13H,5-10H2,1-4H3
InChIKeyPTGUEULCYPVPGD-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Cyclopropanecarboxamide, N,N,2,2,3,3-hexamethyl-
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US10730889, Example 32
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Cyclopropyl(2-azaspiro[5.5]undecan-2-yl)methanone
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8-(Cyclopropylmethyl)-2-methyl-2,8-diazaspiro[4.5]decan-1-one
CID 97370119
8-(Cyclopropylmethyl)-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370172
1-(3,5-Dimethylpiperidin-1-yl)-2-methylpentan-1-one
CID 2904846
3-Methyl-1-(1-piperidinyl)-1-butanone
CID 4075318
1-(4-Tert-butylpiperidin-1-yl)but-2-yn-1-one
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CID 126750056

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone (CID 58430914) is cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone is CC(C)C1(C(C)C)CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone?
The InChIKey is PTGUEULCYPVPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-11(2)15(12(3)4)7-9-16(10-8-15)14(17)13-5-6-13/h11-13H,5-10H2,1-4H3.
What are the key properties of cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone?
cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone has a molecular weight of 237.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4,4-di(propan-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 58430914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).