piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C16H31Cl2N3O — CID 119894675

IUPACpiperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C16H29N3O.2ClH/c20-16(15-5-4-7-17-11-15)19-10-6-14(13-19)12-18-8-2-1-3-9-18;;/h14-15,17H,1-13H2;2*1H
InChIKeySHMXOVABSUOWRO-UHFFFAOYSA-N
MW352.35 g/mol
LogP2.16
Rot. Bonds3

About piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride

piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119894675) has the molecular formula C16H31Cl2N3O and a molecular weight of 352.35 g/mol. Its IUPAC name is piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Namepiperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119894675
Molecular FormulaC16H31Cl2N3O
Molecular Weight352.35 g/mol
Exact Mass351.18
IUPAC Namepiperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCl.Cl.O=C(C1CCCNC1)N1CCC(CN2CCCCC2)C1
InChIInChI=1S/C16H29N3O.2ClH/c20-16(15-5-4-7-17-11-15)19-10-6-14(13-19)12-18-8-2-1-3-9-18;;/h14-15,17H,1-13H2;2*1H
InChIKeySHMXOVABSUOWRO-UHFFFAOYSA-N
XLogP2.16
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pyrrolidin-3-yl-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 119892585
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 114797503
[4-(morpholin-4-ylmethyl)piperidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 81128684
piperidin-3-yl-(3-propylpyrrolidin-1-yl)methanone
CID 115734206
[3-(ethoxymethyl)pyrrolidin-1-yl]-piperidin-3-ylmethanone;hydrochloride
CID 119341197
[(3R)-3-(ethoxymethyl)pyrrolidin-1-yl]-[(3R)-piperidin-3-yl]methanone
CID 129380230
3-piperidin-3-yl-1-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119894711
azepan-1-yl-[(3S)-piperidin-3-yl]methanone
CID 7169846
azocan-1-yl(piperidin-3-yl)methanone
CID 43211901
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
piperidin-3-yl-(3-propylpiperidin-1-yl)methanone;hydrochloride
CID 119337253
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-piperidin-3-ylmethanone
CID 119895885

Frequently Asked Questions

What is the IUPAC name of piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 119894675) is piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CCCNC1)N1CCC(CN2CCCCC2)C1.
What is the InChIKey of piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is SHMXOVABSUOWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.2ClH/c20-16(15-5-4-7-17-11-15)19-10-6-14(13-19)12-18-8-2-1-3-9-18;;/h14-15,17H,1-13H2;2*1H.
What are the key properties of piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 352.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-3-yl-[3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119894675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).