N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide

C23H32N4O2 — CID 56569898

IUPACN-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
SMILESCc1cc(C(=O)CN2CCC(NC(C)C)CC2)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-16(2)24-20-10-12-26(13-11-20)15-22(28)21-14-17(3)27(18(21)4)25-23(29)19-8-6-5-7-9-19/h5-9,14,16,20,24H,10-13,15H2,1-4H3,(H,25,29)
InChIKeyFDOJJFFBRREUMG-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.13
Rot. Bonds7

About N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide

N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide (PubChem CID 56569898) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
PubChem CID56569898
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC NameN-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide
SMILESCc1cc(C(=O)CN2CCC(NC(C)C)CC2)c(C)n1NC(=O)c1ccccc1
InChIInChI=1S/C23H32N4O2/c1-16(2)24-20-10-12-26(13-11-20)15-22(28)21-14-17(3)27(18(21)4)25-23(29)19-8-6-5-7-9-19/h5-9,14,16,20,24H,10-13,15H2,1-4H3,(H,25,29)
InChIKeyFDOJJFFBRREUMG-UHFFFAOYSA-N
XLogP3.13
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 16580800
N-[1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperidin-4-yl]benzamide
CID 33108267
N-[3-[2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 55868840
1-[1-(3-fluoro-4-methylphenyl)-2,5-dimethylpyrrol-3-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 56569998
2-(4-benzoylpiperazin-1-yl)-1-(1-cyclopentyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 110659197
N-(2-benzoyl-4-chlorophenyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56569861
4-[[[2-(1-benzamido-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 78817571
N-[(1-phenacylpiperidin-4-yl)carbamoyl]benzamide
CID 12608588
2-(4-benzoylpiperidin-1-yl)-1-[2,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]pyrrol-3-yl]ethanone
CID 33214933
N-cyclopropyl-2-[4-[2-[2,5-dimethyl-1-(1-phenylethyl)pyrrol-3-yl]-2-oxoethyl]piperazin-1-yl]propanamide
CID 43037883
1-[4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110659082
N-[3-[2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetyl]-2,5-dimethylpyrrol-1-yl]benzamide
CID 46817909

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide?
The IUPAC name of N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide (CID 56569898) is N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide.
What is the SMILES notation for N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide?
The canonical SMILES for N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide is Cc1cc(C(=O)CN2CCC(NC(C)C)CC2)c(C)n1NC(=O)c1ccccc1.
What is the InChIKey of N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide?
The InChIKey is FDOJJFFBRREUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-16(2)24-20-10-12-26(13-11-20)15-22(28)21-14-17(3)27(18(21)4)25-23(29)19-8-6-5-7-9-19/h5-9,14,16,20,24H,10-13,15H2,1-4H3,(H,25,29).
What are the key properties of N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide?
N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide has a molecular weight of 396.54 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethyl-3-[2-[4-(propan-2-ylamino)piperidin-1-yl]acetyl]pyrrol-1-yl]benzamide is sourced from PubChem (CID 56569898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).