(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone

C11H20N2O — CID 50874529

IUPAC(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N2O/c1-12-6-4-5-10(9-12)11(14)13-7-2-3-8-13/h10H,2-9H2,1H3
InChIKeyNTCLMPAEXRMTBH-UHFFFAOYSA-N
MW196.29 g/mol
LogP0.95
Rot. Bonds1

About (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone

(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 50874529) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID50874529
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone
SMILESCN1CCCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C11H20N2O/c1-12-6-4-5-10(9-12)11(14)13-7-2-3-8-13/h10H,2-9H2,1H3
InChIKeyNTCLMPAEXRMTBH-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 18793
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CID 2794682
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CID 303144
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CID 120652
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CID 18785
CID 18785
CID 218423
CID 218423
CID 90679730
CID 90679730
CID 90679731
CID 90679731
CID 50944469
CID 50944469
CID 84583376
CID 84583376
CID 883948
CID 883948
CID 806927
CID 806927

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone (CID 50874529) is (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone is CN1CCCC(C(=O)N2CCCC2)C1.
What is the InChIKey of (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NTCLMPAEXRMTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-12-6-4-5-10(9-12)11(14)13-7-2-3-8-13/h10H,2-9H2,1H3.
What are the key properties of (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone?
(1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 196.29 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 50874529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).