(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone

C13H23N3O — CID 68806111

IUPAC(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone
SMILESC[C@@H]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)N1
InChIInChI=1S/C13H23N3O/c1-10-2-5-12(14-10)13(17)16-8-6-15(7-9-16)11-3-4-11/h10-12,14H,2-9H2,1H3/t10-,12-/m1/s1
InChIKeyGBFJRVMSVHOGFC-ZYHUDNBSSA-N
MW237.35 g/mol
LogP0.43
Rot. Bonds2

About (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone

(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone (PubChem CID 68806111) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone
PubChem CID68806111
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone
SMILESC[C@@H]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)N1
InChIInChI=1S/C13H23N3O/c1-10-2-5-12(14-10)13(17)16-8-6-15(7-9-16)11-3-4-11/h10-12,14H,2-9H2,1H3/t10-,12-/m1/s1
InChIKeyGBFJRVMSVHOGFC-ZYHUDNBSSA-N
XLogP0.43
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-methylpiperidin-2-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 61243540
1-[4-(6-methylpiperidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 55002784
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
[4-(1-hydroxyethyl)piperidin-1-yl]-(6-methylpiperidin-2-yl)methanone
CID 106836044
(2S,5R)-5-methylpyrrolidine-2-carboxylic acid
CID 6995039
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
2-[1-(6-methylpiperidine-2-carbonyl)piperidin-4-yl]acetamide
CID 54989106
ethane;1-(5-methylpyrrolidin-2-yl)ethanone
CID 145078536
[4-(4-cyclopentylpiperazine-1-carbonyl)cyclohexyl]-(4-cyclopentylpiperazin-1-yl)methanone
CID 112815528
3-(4-cyclopropylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63782292
trans-methyl (1S,2S)-2-(4-cyclopropylpiperazine-1-carbonyl)cyclopropane-1-carboxylate
CID 97062484
(4-cyclobutylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 57463734

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone?
The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone (CID 68806111) is (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone is C[C@@H]1CC[C@H](C(=O)N2CCN(C3CC3)CC2)N1.
What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone?
The InChIKey is GBFJRVMSVHOGFC-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-2-5-12(14-10)13(17)16-8-6-15(7-9-16)11-3-4-11/h10-12,14H,2-9H2,1H3/t10-,12-/m1/s1.
What are the key properties of (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone?
(4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone has a molecular weight of 237.35 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropylpiperazin-1-yl)-[(2R,5R)-5-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 68806111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).