3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one

C19H34N4O2 — CID 119876029

IUPAC3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCNCC1
InChIInChI=1S/C19H34N4O2/c1-16(17-4-6-20-7-5-17)14-18(24)22-10-12-23(13-11-22)19(25)15-21-8-2-3-9-21/h16-17,20H,2-15H2,1H3
InChIKeyQVEINRBTHCFFGG-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.78
Rot. Bonds5

About 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one

3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one (PubChem CID 119876029) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
PubChem CID119876029
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one
SMILESCC(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCNCC1
InChIInChI=1S/C19H34N4O2/c1-16(17-4-6-20-7-5-17)14-18(24)22-10-12-23(13-11-22)19(25)15-21-8-2-3-9-21/h16-17,20H,2-15H2,1H3
InChIKeyQVEINRBTHCFFGG-UHFFFAOYSA-N
XLogP0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119837290
3-piperidin-4-yl-1-pyrrolidin-1-ylbutan-1-one;hydrochloride
CID 119669978
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119859713
1-[3-(azepan-1-ylmethyl)piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119875753
1-(4-ethylazepan-1-yl)-3-piperidin-4-ylbutan-1-one
CID 119794906
N-cyclohexyl-4-(3-piperidin-4-ylbutanoyl)piperazine-1-carboxamide;hydrochloride
CID 119727435
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
2-[4-[(3R)-3-cyclohexylbutanoyl]piperazin-1-yl]acetamide
CID 95159173
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
N-methyl-1-(3-piperidin-4-ylbutanoyl)piperidine-3-carboxamide
CID 119783440
3-piperidin-4-yl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 119827988
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119720804

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one (CID 119876029) is 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one is CC(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCNCC1.
What is the InChIKey of 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one?
The InChIKey is QVEINRBTHCFFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-16(17-4-6-20-7-5-17)14-18(24)22-10-12-23(13-11-22)19(25)15-21-8-2-3-9-21/h16-17,20H,2-15H2,1H3.
What are the key properties of 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one?
3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one has a molecular weight of 350.51 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 119876029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).