N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide

C24H29N5O2 — CID 97448020

IUPACN-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide
SMILESCN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn23)CC1
InChIInChI=1S/C24H29N5O2/c1-26(2)18-23(30)28-14-12-27(13-15-28)22-11-10-21-9-8-20(17-29(21)22)24(31)25-16-19-6-4-3-5-7-19/h3-11,17H,12-16,18H2,1-2H3,(H,25,31)
InChIKeyZCPDDWJCOVATFY-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.08
Rot. Bonds6

About N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide

N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide (PubChem CID 97448020) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide
PubChem CID97448020
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide
SMILESCN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn23)CC1
InChIInChI=1S/C24H29N5O2/c1-26(2)18-23(30)28-14-12-27(13-15-28)22-11-10-21-9-8-20(17-29(21)22)24(31)25-16-19-6-4-3-5-7-19/h3-11,17H,12-16,18H2,1-2H3,(H,25,31)
InChIKeyZCPDDWJCOVATFY-UHFFFAOYSA-N
XLogP2.08
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155838504
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
3-(4-methylpiperazin-1-yl)-N-(pyridin-4-ylmethyl)indolizine-6-carboxamide
CID 97447891
3-[4-(dimethylcarbamoyl)piperazin-1-yl]-N-propylindolizine-6-carboxamide
CID 97448044
3-(4-acetylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)indolizine-6-carboxamide
CID 97447967
3-(4-methylsulfonylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97362437
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
N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448038
N-[2-(3-fluorophenyl)ethyl]-3-(4-methylpiperidin-1-yl)indolizine-6-carboxamide
CID 97441664
3-(4-propan-2-ylpiperazin-1-yl)-N-(2-pyridin-2-ylethyl)indolizine-6-carboxamide
CID 97448096
N-[2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 18140475

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide?
The IUPAC name of N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide (CID 97448020) is N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide.
What is the SMILES notation for N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide?
The canonical SMILES for N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide is CN(C)CC(=O)N1CCN(c2ccc3ccc(C(=O)NCc4ccccc4)cn23)CC1.
What is the InChIKey of N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide?
The InChIKey is ZCPDDWJCOVATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-26(2)18-23(30)28-14-12-27(13-15-28)22-11-10-21-9-8-20(17-29(21)22)24(31)25-16-19-6-4-3-5-7-19/h3-11,17H,12-16,18H2,1-2H3,(H,25,31).
What are the key properties of N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide?
N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]indolizine-6-carboxamide is sourced from PubChem (CID 97448020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).