N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

C15H30Cl2N4O2 — CID 119837527

IUPACN,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-3-18(4-2)14(20)12-17-7-9-19(10-8-17)15(21)13-5-6-16-11-13;;/h13,16H,3-12H2,1-2H3;2*1H
InChIKeyDWTNWLLAINRRAH-UHFFFAOYSA-N
MW369.34 g/mol
LogP0.45
Rot. Bonds5

About N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride

N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (PubChem CID 119837527) has the molecular formula C15H30Cl2N4O2 and a molecular weight of 369.34 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
PubChem CID119837527
Molecular FormulaC15H30Cl2N4O2
Molecular Weight369.34 g/mol
Exact Mass368.17
IUPAC NameN,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
SMILESCCN(CC)C(=O)CN1CCN(C(=O)C2CCNC2)CC1.Cl.Cl
InChIInChI=1S/C15H28N4O2.2ClH/c1-3-18(4-2)14(20)12-17-7-9-19(10-8-17)15(21)13-5-6-16-11-13;;/h13,16H,3-12H2,1-2H3;2*1H
InChIKeyDWTNWLLAINRRAH-UHFFFAOYSA-N
XLogP0.45
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]acetamide
CID 120631697
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119837309
[4-(2-ethoxyethyl)piperazin-1-yl]-pyrrolidin-3-ylmethanone
CID 119843367
1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289
[4-[(4-methylcyclohexyl)methyl]piperazin-1-yl]-[(3S)-pyrrolidin-3-yl]methanone
CID 177134798
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-[4,7-bis[2-(diethylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]-N,N-diethylacetamide
CID 14434735
N,N-dimethyl-2-[4-(piperidine-4-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60963961
(4-methylpiperazin-1-yl)-[(3R)-pyrrolidin-3-yl]methanone
CID 94915356
3-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]propanoic acid
CID 63006582

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The IUPAC name of N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride (CID 119837527) is N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride.
What is the SMILES notation for N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The canonical SMILES for N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is CCN(CC)C(=O)CN1CCN(C(=O)C2CCNC2)CC1.Cl.Cl.
What is the InChIKey of N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
The InChIKey is DWTNWLLAINRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2.2ClH/c1-3-18(4-2)14(20)12-17-7-9-19(10-8-17)15(21)13-5-6-16-11-13;;/h13,16H,3-12H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride?
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride has a molecular weight of 369.34 g/mol, XLogP of 0.45, 5 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-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride is sourced from PubChem (CID 119837527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).