N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide

C16H30N4O2 — CID 119837520

IUPACN,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C16H30N4O2/c1-3-19(4-2)16(22)13-18-8-10-20(11-9-18)15(21)12-14-6-5-7-17-14/h14,17H,3-13H2,1-2H3
InChIKeyUXZXKQJKZMFKSL-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.14
Rot. Bonds6

About N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide

N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide (PubChem CID 119837520) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
PubChem CID119837520
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC NameN,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCN(C(=O)CC2CCCN2)CC1
InChIInChI=1S/C16H30N4O2/c1-3-19(4-2)16(22)13-18-8-10-20(11-9-18)15(21)12-14-6-5-7-17-14/h14,17H,3-13H2,1-2H3
InChIKeyUXZXKQJKZMFKSL-UHFFFAOYSA-N
XLogP0.14
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
N-ethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119844022
2-[4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]piperazin-1-yl]-N,N-diethylacetamide
CID 119837500
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
CID 61372180
2-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-(4-ethoxypiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 61364485
2-pyrrolidin-2-yl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61364492
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119860173
N-(4-methylcyclohexyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119876672
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
1-(4-tert-butylpiperazin-1-yl)-2-piperidin-2-ylethanone
CID 61430399
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide (CID 119837520) is N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide is CCN(CC)C(=O)CN1CCN(C(=O)CC2CCCN2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide?
The InChIKey is UXZXKQJKZMFKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-19(4-2)16(22)13-18-8-10-20(11-9-18)15(21)12-14-6-5-7-17-14/h14,17H,3-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide?
N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide has a molecular weight of 310.44 g/mol, XLogP of 0.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 119837520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).