3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide

C19H31N3O3 — CID 75454694

IUPAC3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1cccn1C)NC(=O)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H31N3O3/c1-15(8-9-17-7-5-10-21(17)3)20-18(23)22-11-4-6-16(14-22)19(2)24-12-13-25-19/h5,7,10,15-16H,4,6,8-9,11-14H2,1-3H3,(H,20,23)
InChIKeyPIDYSCLODHEFNM-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.53
Rot. Bonds5

About 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide

3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide (PubChem CID 75454694) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
PubChem CID75454694
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide
SMILESCC(CCc1cccn1C)NC(=O)N1CCCC(C2(C)OCCO2)C1
InChIInChI=1S/C19H31N3O3/c1-15(8-9-17-7-5-10-21(17)3)20-18(23)22-11-4-6-16(14-22)19(2)24-12-13-25-19/h5,7,10,15-16H,4,6,8-9,11-14H2,1-3H3,(H,20,23)
InChIKeyPIDYSCLODHEFNM-UHFFFAOYSA-N
XLogP2.53
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide (CID 75454694) is 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide is CC(CCc1cccn1C)NC(=O)N1CCCC(C2(C)OCCO2)C1.
What is the InChIKey of 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide?
The InChIKey is PIDYSCLODHEFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-15(8-9-17-7-5-10-21(17)3)20-18(23)22-11-4-6-16(14-22)19(2)24-12-13-25-19/h5,7,10,15-16H,4,6,8-9,11-14H2,1-3H3,(H,20,23).
What are the key properties of 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide?
3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-1,3-dioxolan-2-yl)-N-[4-(1-methylpyrrol-2-yl)butan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 75454694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).