[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

C17H30N2O — CID 883952

IUPAC[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C17H30N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h15-16H,1-14H2
InChIKeyYYFLWZYFBSLRLQ-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.90
Rot. Bonds3

About [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 883952) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID883952
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1
InChIInChI=1S/C17H30N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h15-16H,1-14H2
InChIKeyYYFLWZYFBSLRLQ-UHFFFAOYSA-N
XLogP2.90
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 883952) is [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is O=C(C1CCN(CC2CCCCC2)CC1)N1CCCC1.
What is the InChIKey of [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is YYFLWZYFBSLRLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(19-10-4-5-11-19)16-8-12-18(13-9-16)14-15-6-2-1-3-7-15/h15-16H,1-14H2.
What are the key properties of [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 278.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylmethyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 883952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).