benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone

C18H26N2O3 — CID 142544964

IUPACbenzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCCNC1)N1CCCC1.O=COCc1ccccc1
InChIInChI=1S/C10H18N2O.C8H8O2/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;9-7-10-6-8-4-2-1-3-5-8/h9,11H,1-8H2;1-5,7H,6H2
InChIKeyXGWIHYLCKOEEGQ-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.97
Rot. Bonds4

About benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone

benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone (PubChem CID 142544964) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namebenzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
PubChem CID142544964
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Namebenzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone
SMILESO=C(C1CCCNC1)N1CCCC1.O=COCc1ccccc1
InChIInChI=1S/C10H18N2O.C8H8O2/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;9-7-10-6-8-4-2-1-3-5-8/h9,11H,1-8H2;1-5,7H,6H2
InChIKeyXGWIHYLCKOEEGQ-UHFFFAOYSA-N
XLogP1.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl formate;pyrrolidin-1-yl-[(2R)-pyrrolidin-2-yl]methanone
CID 174487902
benzyl formate;piperidin-3-ylhydrazine
CID 174774253
N-benzyl-1-[(3R)-piperidine-3-carbonyl]piperidine-4-carboxamide
CID 99843263
4-phenyl-1-[4-(piperidine-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119312368
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4-phenylazepan-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119316139
(4-phenyl-1,4-diazepan-1-yl)-piperidin-3-ylmethanone;dihydrochloride
CID 119860749
[4-(2-hydroxyphenyl)piperazin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81126192
acetaldehyde;methane;[(3S)-piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydroiodide
CID 142545183
(2-benzylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 60940057
[(2R,3R)-3-benzyl-2-methylpyrrolidin-1-yl]-[(3S)-piperidin-3-yl]methanone
CID 125134096

Frequently Asked Questions

What is the IUPAC name of benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone?
The IUPAC name of benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone (CID 142544964) is benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone.
What is the SMILES notation for benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone?
The canonical SMILES for benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone is O=C(C1CCCNC1)N1CCCC1.O=COCc1ccccc1.
What is the InChIKey of benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone?
The InChIKey is XGWIHYLCKOEEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C8H8O2/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9;9-7-10-6-8-4-2-1-3-5-8/h9,11H,1-8H2;1-5,7H,6H2.
What are the key properties of benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone?
benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl formate;piperidin-3-yl(pyrrolidin-1-yl)methanone is sourced from PubChem (CID 142544964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).