N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide

C20H27N5O2 — CID 97448022

IUPACN-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)21-20(27)24-11-9-23(10-12-24)18-8-7-17-6-3-15(13-25(17)18)19(26)22-16-4-5-16/h3,6-8,13-14,16H,4-5,9-12H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyLBCOGKLCVULQMU-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.07
Rot. Bonds4

About N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide

N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide (PubChem CID 97448022) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
PubChem CID97448022
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
SMILESCC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1
InChIInChI=1S/C20H27N5O2/c1-14(2)21-20(27)24-11-9-23(10-12-24)18-8-7-17-6-3-15(13-25(17)18)19(26)22-16-4-5-16/h3,6-8,13-14,16H,4-5,9-12H2,1-2H3,(H,21,27)(H,22,26)
InChIKeyLBCOGKLCVULQMU-UHFFFAOYSA-N
XLogP2.07
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide
CID 97448038
4-[(4-tert-butylbenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822345
4-[(3,4-difluorobenzoyl)amino]-N-propan-2-ylpiperidine-1-carboxamide
CID 110822363
N-cyclobutyl-3-[1-(propan-2-ylcarbamoyl)pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 131648928
3-(4-acetylpiperazin-1-yl)-N-(2-phenylethyl)indolizine-6-carboxamide
CID 97447966
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
N-(cyclopropylmethyl)-3-(4-methylsulfonylpiperazin-1-yl)indolizine-6-carboxamide
CID 97448060
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-(3-ethoxypropyl)-3-(4-methylpiperazin-1-yl)indolizine-6-carboxamide
CID 97362387
N-propan-2-yl-4-[(2,3,4-trifluorobenzoyl)amino]piperidine-1-carboxamide
CID 110822364
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
N-cyclopentyl-6-(4-methylsulfonylpiperazin-1-yl)pyrrolo[1,2-a]pyrimidine-3-carboxamide
CID 134158091

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The IUPAC name of N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide (CID 97448022) is N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide is CC(C)NC(=O)N1CCN(c2ccc3ccc(C(=O)NC4CC4)cn23)CC1.
What is the InChIKey of N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
The InChIKey is LBCOGKLCVULQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14(2)21-20(27)24-11-9-23(10-12-24)18-8-7-17-6-3-15(13-25(17)18)19(26)22-16-4-5-16/h3,6-8,13-14,16H,4-5,9-12H2,1-2H3,(H,21,27)(H,22,26).
What are the key properties of N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide?
N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[4-(propan-2-ylcarbamoyl)piperazin-1-yl]indolizine-6-carboxamide is sourced from PubChem (CID 97448022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).