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

C16H25N3O3 — CID 84590732

IUPAC4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccc(CNC(=O)N2CCC(C3(C)OCCO3)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-16(21-9-10-22-16)14-4-7-19(8-5-14)15(20)17-11-13-3-6-18(2)12-13/h3,6,12,14H,4-5,7-11H2,1-2H3,(H,17,20)
InChIKeyJWESHCPKPLNSCM-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.71
Rot. Bonds3

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

4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 84590732) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide
PubChem CID84590732
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide
SMILESCn1ccc(CNC(=O)N2CCC(C3(C)OCCO3)CC2)c1
InChIInChI=1S/C16H25N3O3/c1-16(21-9-10-22-16)14-4-7-19(8-5-14)15(20)17-11-13-3-6-18(2)12-13/h3,6,12,14H,4-5,7-11H2,1-2H3,(H,17,20)
InChIKeyJWESHCPKPLNSCM-UHFFFAOYSA-N
XLogP1.71
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methyl-1,3-dioxolan-2-yl)-N-(3-phenylprop-2-ynyl)piperidine-1-carboxamide
CID 75390214
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 124616109
1-[(1-methylpyrrol-3-yl)methyl]-3-(oxolan-3-yl)urea
CID 103839161
N-benzyl-4-[2-(1-methylpyrrol-3-yl)acetyl]piperazine-1-carboxamide
CID 110813034
(2S)-2-(4-fluoro-3-methylphenyl)-N-[(1-methylpyrrol-3-yl)methyl]morpholine-4-carboxamide
CID 97249747
1-(1-methylpyrrolidin-3-yl)-N-[(1-methylpyrrol-3-yl)methyl]methanamine
CID 66400440
3,3-dimethyl-N-[(1-methylpyrrol-3-yl)methyl]piperidine-2-carboxamide
CID 106390878
2-(4-aminopiperidin-1-yl)-N-[(1-methylpyrrol-3-yl)methyl]acetamide
CID 103814676
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 66398506
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
N-[(1-methylpyrrol-3-yl)methyl]-1-(oxan-4-yl)methanamine
CID 66399833

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide (CID 84590732) is 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide is Cn1ccc(CNC(=O)N2CCC(C3(C)OCCO3)CC2)c1.
What is the InChIKey of 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is JWESHCPKPLNSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-16(21-9-10-22-16)14-4-7-19(8-5-14)15(20)17-11-13-3-6-18(2)12-13/h3,6,12,14H,4-5,7-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide?
4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-dioxolan-2-yl)-N-[(1-methylpyrrol-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 84590732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).