1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride

C16H30Cl2N4O2 — CID 119837309

IUPAC1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCCCC1
InChIInChI=1S/C16H28N4O2.2ClH/c21-15(19-6-2-1-3-7-19)13-18-8-10-20(11-9-18)16(22)14-4-5-17-12-14;;/h14,17H,1-13H2;2*1H
InChIKeyBYVNXIZPMQQQMM-UHFFFAOYSA-N
MW381.35 g/mol
LogP0.60
Rot. Bonds3

About 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride

1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride (PubChem CID 119837309) has the molecular formula C16H30Cl2N4O2 and a molecular weight of 381.35 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
PubChem CID119837309
Molecular FormulaC16H30Cl2N4O2
Molecular Weight381.35 g/mol
Exact Mass380.17
IUPAC Name1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
SMILESCl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCCCC1
InChIInChI=1S/C16H28N4O2.2ClH/c21-15(19-6-2-1-3-7-19)13-18-8-10-20(11-9-18)16(22)14-4-5-17-12-14;;/h14,17H,1-13H2;2*1H
InChIKeyBYVNXIZPMQQQMM-UHFFFAOYSA-N
XLogP0.60
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876051
2-[4-(piperidine-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833931
1-morpholin-4-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119834289
2-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844103
pyrrolidin-1-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 67294247
2-[4-(morpholine-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone;dihydrochloride
CID 119837297
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
N,N-diethyl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119837527
(4-propylpiperazin-1-yl)-[(3S)-pyrrolidin-3-yl]methanone
CID 94915615
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
3-methyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]butan-1-one
CID 63005991

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride (CID 119837309) is 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride is Cl.Cl.O=C(CN1CCN(C(=O)C2CCNC2)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
The InChIKey is BYVNXIZPMQQQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2.2ClH/c21-15(19-6-2-1-3-7-19)13-18-8-10-20(11-9-18)16(22)14-4-5-17-12-14;;/h14,17H,1-13H2;2*1H.
What are the key properties of 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride?
1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride has a molecular weight of 381.35 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 119837309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).