[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

C19H34N4O — CID 70332281

IUPAC[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2=CC(CN3CCCCC3)CN2C)CC1
InChIInChI=1S/C19H34N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13,16-17H,4-12,14-15H2,1-3H3
InChIKeyAGYVYBUVYRWECF-UHFFFAOYSA-N
MW334.51 g/mol
LogP1.47
Rot. Bonds4

About [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone

[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 70332281) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID70332281
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)C2=CC(CN3CCCCC3)CN2C)CC1
InChIInChI=1S/C19H34N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13,16-17H,4-12,14-15H2,1-3H3
InChIKeyAGYVYBUVYRWECF-UHFFFAOYSA-N
XLogP1.47
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(piperidin-1-ylmethyl)piperazin-1-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 141128819
(4-iodo-1-methylpyrrol-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 168680018
(4-propan-2-ylpiperazin-1-yl)-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 166021048
[3-(piperidin-1-ylmethyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060389
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 44540674
[1-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]indol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68624973
ethane;2-hydroxy-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 145315809
2-(4-propan-2-ylpiperazin-1-yl)-1-pyrrolidin-1-ylethanone
CID 20613836
2-[4-(2-piperidin-1-ylethyl)piperazin-1-yl]propanoic acid
CID 62312460
(3,5-dimethylfuran-2-yl)-[4-[[(2R)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609048
(3,5-dimethylfuran-2-yl)-[4-[[(2S)-4-propan-2-ylmorpholin-2-yl]methyl]piperazin-1-yl]methanone
CID 124609049

Frequently Asked Questions

What is the IUPAC name of [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone (CID 70332281) is [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)C2=CC(CN3CCCCC3)CN2C)CC1.
What is the InChIKey of [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is AGYVYBUVYRWECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O/c1-16(2)22-9-11-23(12-10-22)19(24)18-13-17(14-20(18)3)15-21-7-5-4-6-8-21/h13,16-17H,4-12,14-15H2,1-3H3.
What are the key properties of [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone?
[1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 334.51 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-3-(piperidin-1-ylmethyl)-2,3-dihydropyrrol-5-yl]-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70332281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).