(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone

C16H26N4O — CID 58993910

IUPAC(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCCC(Cn3cccc3)C2)CC1
InChIInChI=1S/C16H26N4O/c1-17-9-11-19(12-10-17)16(21)20-8-4-5-15(14-20)13-18-6-2-3-7-18/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyJLMHYVTYUUOIDA-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.57
Rot. Bonds2

About (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone

(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 58993910) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID58993910
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone
SMILESCN1CCN(C(=O)N2CCCC(Cn3cccc3)C2)CC1
InChIInChI=1S/C16H26N4O/c1-17-9-11-19(12-10-17)16(21)20-8-4-5-15(14-20)13-18-6-2-3-7-18/h2-3,6-7,15H,4-5,8-14H2,1H3
InChIKeyJLMHYVTYUUOIDA-UHFFFAOYSA-N
XLogP1.57
TPSA31.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 131532864
N-[[(3R)-1-(4-methylpiperazine-1-carbonyl)piperidin-3-yl]methyl]thiophene-2-sulfonamide
CID 97274825
bis[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 151645360
azepan-1-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 106586477
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 86265900
azocan-1-yl-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 117068106
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
1-[4-[3-[(4-methylpiperazin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683784
1-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidine-3-carboxylic acid
CID 63030858
3-(pyrazol-1-ylmethyl)piperidine-1-carboxylic acid
CID 135149499
(3-aminopiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 79161440
[(3R)-3-(1-butylimidazol-2-yl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 97200492

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone (CID 58993910) is (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone is CN1CCN(C(=O)N2CCCC(Cn3cccc3)C2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is JLMHYVTYUUOIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-17-9-11-19(12-10-17)16(21)20-8-4-5-15(14-20)13-18-6-2-3-7-18/h2-3,6-7,15H,4-5,8-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone?
(4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-(pyrrol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 58993910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).