cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone

C23H30N4O2 — CID 10763212

IUPACcyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-8-3-2-7-20(21)27-16-14-26(15-17-27)13-5-12-25-23-19(6-4-11-24-23)22(28)18-9-10-18/h2-4,6-8,11,18H,5,9-10,12-17H2,1H3,(H,24,25)
InChIKeyBYWWVLBZSFTMPL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.31
Rot. Bonds9

About cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone

cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone (PubChem CID 10763212) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
PubChem CID10763212
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Namecyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone
SMILESCOc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1
InChIInChI=1S/C23H30N4O2/c1-29-21-8-3-2-7-20(21)27-16-14-26(15-17-27)13-5-12-25-23-19(6-4-11-24-23)22(28)18-9-10-18/h2-4,6-8,11,18H,5,9-10,12-17H2,1H3,(H,24,25)
InChIKeyBYWWVLBZSFTMPL-UHFFFAOYSA-N
XLogP3.31
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone?
The IUPAC name of cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone (CID 10763212) is cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone.
What is the SMILES notation for cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone?
The canonical SMILES for cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone is COc1ccccc1N1CCN(CCCNc2ncccc2C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone?
The InChIKey is BYWWVLBZSFTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-29-21-8-3-2-7-20(21)27-16-14-26(15-17-27)13-5-12-25-23-19(6-4-11-24-23)22(28)18-9-10-18/h2-4,6-8,11,18H,5,9-10,12-17H2,1H3,(H,24,25).
What are the key properties of cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone?
cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone has a molecular weight of 394.52 g/mol, XLogP of 3.31, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 10763212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).