1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone

C20H29N3O2 — CID 138380490

IUPAC1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(CC(=O)N3CCCC3C3(O)CC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-16-4-2-5-17(14-16)22-12-10-21(11-13-22)15-19(24)23-9-3-6-18(23)20(25)7-8-20/h2,4-5,14,18,25H,3,6-13,15H2,1H3
InChIKeyNJZTXXRGIWBYIV-UHFFFAOYSA-N
MW343.47 g/mol
LogP1.63
Rot. Bonds4

About 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone

1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone (PubChem CID 138380490) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
PubChem CID138380490
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
SMILESCc1cccc(N2CCN(CC(=O)N3CCCC3C3(O)CC3)CC2)c1
InChIInChI=1S/C20H29N3O2/c1-16-4-2-5-17(14-16)22-12-10-21(11-13-22)15-19(24)23-9-3-6-18(23)20(25)7-8-20/h2,4-5,14,18,25H,3,6-13,15H2,1H3
InChIKeyNJZTXXRGIWBYIV-UHFFFAOYSA-N
XLogP1.63
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-4-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-12-oxa-4,8-diazatricyclo[6.4.0.01,5]dodecan-7-one
CID 154816961
1-(4-cyclobutylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 57442462
N-cyclopentyl-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 60504984
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(3-methylpiperidin-1-yl)ethanone
CID 109004012
N-cyclopropyl-2-[4-[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30649285
2-[4-(3-methylphenyl)piperazin-1-yl]-N-[[(3S)-1-methylpiperidin-3-yl]methyl]acetamide
CID 95215856
1-(2-ethylpiperidin-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029372
1-(4-fluorophenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51363163
1-[2-(aminomethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119468706
9-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 163317293
1-[2-(1-aminoethyl)piperidin-1-yl]-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 119436773
1-[2-[4-(3-methylphenyl)piperazin-1-yl]acetyl]-N-phenylpiperidine-4-carboxamide
CID 24568541

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone (CID 138380490) is 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone is Cc1cccc(N2CCN(CC(=O)N3CCCC3C3(O)CC3)CC2)c1.
What is the InChIKey of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
The InChIKey is NJZTXXRGIWBYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-16-4-2-5-17(14-16)22-12-10-21(11-13-22)15-19(24)23-9-3-6-18(23)20(25)7-8-20/h2,4-5,14,18,25H,3,6-13,15H2,1H3.
What are the key properties of 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone?
1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone has a molecular weight of 343.47 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxycyclopropyl)pyrrolidin-1-yl]-2-[4-(3-methylphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 138380490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).