3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

C23H40N4O2 — CID 56875238

IUPAC3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCN1CCN(C(=O)C2CCCN(C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1
InChIInChI=1S/C23H40N4O2/c1-23(9-10-23)8-5-21(28)25-12-6-20(7-13-25)27-11-3-4-19(18-27)22(29)26-16-14-24(2)15-17-26/h19-20H,3-18H2,1-2H3
InChIKeyVSTWAWABDFAOFW-UHFFFAOYSA-N
MW404.60 g/mol
LogP2.04
Rot. Bonds5

About 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one

3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (PubChem CID 56875238) has the molecular formula C23H40N4O2 and a molecular weight of 404.60 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
PubChem CID56875238
Molecular FormulaC23H40N4O2
Molecular Weight404.60 g/mol
Exact Mass404.32
IUPAC Name3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one
SMILESCN1CCN(C(=O)C2CCCN(C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1
InChIInChI=1S/C23H40N4O2/c1-23(9-10-23)8-5-21(28)25-12-6-20(7-13-25)27-11-3-4-19(18-27)22(29)26-16-14-24(2)15-17-26/h19-20H,3-18H2,1-2H3
InChIKeyVSTWAWABDFAOFW-UHFFFAOYSA-N
XLogP2.04
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.60
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

(4-Cyclohexyl-piperazin-1-yl)-(6-isopropyl-6-aza-spiro[2.5]oct-1-yl)-methanone
CID 25118479
Piperazine, 1,4-bis((1-hexyl-3-piperidinyl)carbonyl)-, dihydriodide
CID 3079901
[4-(1-Decylpiperidine-3-carbonyl)-2,5-dimethylpiperazin-1-yl]-(1-decylpiperidin-3-yl)methanone
CID 10077568
[4-(1-Decylpiperidine-3-carbonyl)-3,5-dimethylpiperazin-1-yl]-(1-decylpiperidin-3-yl)methanone
CID 10483943
[4-(1-Decylpiperidine-3-carbonyl)-3-methylpiperazin-1-yl]-(1-decylpiperidin-3-yl)methanone
CID 11758325
N,N'-bis(1-hexylnipecotoyl)piperazine
CID 146249
(2S)-N,1-diethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]piperidine-2-carboxamide
CID 28908527
Sdccgsbi-0115120.P001
CID 45247849
2-Ethyl-1-[4-[4-(4-ethylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]hexan-1-one
CID 42881407
N-cyclohexyl-1'-(cyclopropylcarbonyl)-N-methyl-1,4'-bipiperidine-3-carboxamide
CID 45207050
6-(2-Butynoyl)-1-[(4-cyclohexyl-1-piperazinyl)carbonyl]-6-azaspiro[2.5]octane
CID 118756173
1-[2-(4-Cyclohexylpiperazine-1-carbonyl)-6-azaspiro[2.5]octan-6-yl]-3-methylpentan-1-one
CID 126462933

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one (CID 56875238) is 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is CN1CCN(C(=O)C2CCCN(C3CCN(C(=O)CCC4(C)CC4)CC3)C2)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
The InChIKey is VSTWAWABDFAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H40N4O2/c1-23(9-10-23)8-5-21(28)25-12-6-20(7-13-25)27-11-3-4-19(18-27)22(29)26-16-14-24(2)15-17-26/h19-20H,3-18H2,1-2H3.
What are the key properties of 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one?
3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one has a molecular weight of 404.60 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 56875238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).