3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide

C19H27N5O2 — CID 97448044

IUPAC3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
SMILESCCCNC(=O)c1ccc2ccc(N3CCN(C(=O)N(C)C)CC3)n2c1
InChIInChI=1S/C19H27N5O2/c1-4-9-20-18(25)15-5-6-16-7-8-17(24(16)14-15)22-10-12-23(13-11-22)19(26)21(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,20,25)
InChIKeyRWNAQYBPSZWPCX-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.88
Rot. Bonds4

About 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide

3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide (PubChem CID 97448044) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide.

Molecular Properties

Compound Name3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
PubChem CID97448044
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
SMILESCCCNC(=O)c1ccc2ccc(N3CCN(C(=O)N(C)C)CC3)n2c1
InChIInChI=1S/C19H27N5O2/c1-4-9-20-18(25)15-5-6-16-7-8-17(24(16)14-15)22-10-12-23(13-11-22)19(26)21(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,20,25)
InChIKeyRWNAQYBPSZWPCX-UHFFFAOYSA-N
XLogP1.88
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide
CID 97448020
N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362387
3-(4-acetylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97447978
N-[2-(dimethylamino)-2-oxoethyl]-3-[4-(2-methoxyethyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97447902
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
N-butyl-N-methyl-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362385
N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448022
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97362437
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838504

Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide?
The IUPAC name of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide (CID 97448044) is 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide.
What is the SMILES notation for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide?
The canonical SMILES for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide is CCCNC(=O)c1ccc2ccc(N3CCN(C(=O)N(C)C)CC3)n2c1.
What is the InChIKey of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide?
The InChIKey is RWNAQYBPSZWPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-9-20-18(25)15-5-6-16-7-8-17(24(16)14-15)22-10-12-23(13-11-22)19(26)21(2)3/h5-8,14H,4,9-13H2,1-3H3,(H,20,25).
What are the key properties of 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide?
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide is sourced from PubChem (CID 97448044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).