cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide

C28H44F3N5O3 — CID 143836396

IUPACcyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide
SMILESC=CCN(C)C1CCN(C=O)CC1.CN1C=C(C(F)(F)F)C=CC1CNC=O.O=C(C1CCC1)N1CCCC1
InChIInChI=1S/C10H18N2O.C9H11F3N2O.C9H15NO/c1-3-6-11(2)10-4-7-12(9-13)8-5-10;1-14-5-7(9(10,11)12)2-3-8(14)4-13-6-15;11-9(8-4-3-5-8)10-6-1-2-7-10/h3,9-10H,1,4-8H2,2H3;2-3,5-6,8H,4H2,1H3,(H,13,15);8H,1-7H2
InChIKeyQAAKHZOSRGMQEH-UHFFFAOYSA-N
MW555.69 g/mol
LogP3.18
Rot. Bonds8

About cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide

cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide (PubChem CID 143836396) has the molecular formula C28H44F3N5O3 and a molecular weight of 555.69 g/mol. Its IUPAC name is cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide.

Molecular Properties

Compound Namecyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide
PubChem CID143836396
Molecular FormulaC28H44F3N5O3
Molecular Weight555.69 g/mol
Exact Mass555.34
IUPAC Namecyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide
SMILESC=CCN(C)C1CCN(C=O)CC1.CN1C=C(C(F)(F)F)C=CC1CNC=O.O=C(C1CCC1)N1CCCC1
InChIInChI=1S/C10H18N2O.C9H11F3N2O.C9H15NO/c1-3-6-11(2)10-4-7-12(9-13)8-5-10;1-14-5-7(9(10,11)12)2-3-8(14)4-13-6-15;11-9(8-4-3-5-8)10-6-1-2-7-10/h3,9-10H,1,4-8H2,2H3;2-3,5-6,8H,4H2,1H3,(H,13,15);8H,1-7H2
InChIKeyQAAKHZOSRGMQEH-UHFFFAOYSA-N
XLogP3.18
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.69
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[(3R)-1-[1-[4-(cyclohexa-1,3-diene-1-carbonyl)piperazin-1-yl]propan-2-yl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)cyclohexa-1,3-diene-1-carboxamide
CID 158659261

Frequently Asked Questions

What is the IUPAC name of cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide?
The IUPAC name of cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide (CID 143836396) is cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide.
What is the SMILES notation for cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide?
The canonical SMILES for cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide is C=CCN(C)C1CCN(C=O)CC1.CN1C=C(C(F)(F)F)C=CC1CNC=O.O=C(C1CCC1)N1CCCC1.
What is the InChIKey of cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide?
The InChIKey is QAAKHZOSRGMQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O.C9H11F3N2O.C9H15NO/c1-3-6-11(2)10-4-7-12(9-13)8-5-10;1-14-5-7(9(10,11)12)2-3-8(14)4-13-6-15;11-9(8-4-3-5-8)10-6-1-2-7-10/h3,9-10H,1,4-8H2,2H3;2-3,5-6,8H,4H2,1H3,(H,13,15);8H,1-7H2.
What are the key properties of cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide?
cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide has a molecular weight of 555.69 g/mol, XLogP of 3.18, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl(pyrrolidin-1-yl)methanone;4-[methyl(prop-2-enyl)amino]piperidine-1-carbaldehyde;N-[[1-methyl-5-(trifluoromethyl)-2H-pyridin-2-yl]methyl]formamide is sourced from PubChem (CID 143836396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).