[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

C23H38ClN3O2 — CID 119397972

IUPAC[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1.Cl
InChIInChI=1S/C23H37N3O2.ClH/c1-24-14-16-4-2-6-25(15-16)21(27)20-5-3-7-26(20)22(28)23-11-17-8-18(12-23)10-19(9-17)13-23;/h16-20,24H,2-15H2,1H3;1H
InChIKeyAOPRMOIWXQBHIT-UHFFFAOYSA-N
MW424.03 g/mol
LogP3.07
Rot. Bonds4

About [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride

[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119397972) has the molecular formula C23H38ClN3O2 and a molecular weight of 424.03 g/mol. Its IUPAC name is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
PubChem CID119397972
Molecular FormulaC23H38ClN3O2
Molecular Weight424.03 g/mol
Exact Mass423.27
IUPAC Name[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
SMILESCNCC1CCCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1.Cl
InChIInChI=1S/C23H37N3O2.ClH/c1-24-14-16-4-2-6-25(15-16)21(27)20-5-3-7-26(20)22(28)23-11-17-8-18(12-23)10-19(9-17)13-23;/h16-20,24H,2-15H2,1H3;1H
InChIKeyAOPRMOIWXQBHIT-UHFFFAOYSA-N
XLogP3.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.03
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(aminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119486324
[(2R)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 124628785
[(2S)-1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 36713542
[4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56512274
1-(adamantane-1-carbonyl)-N-[2-(methylamino)ethyl]pyrrolidine-2-carboxamide
CID 119503305
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]butan-1-one
CID 119538669
4-[1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]morpholine-2-carboxylic acid
CID 119238863
1-[2-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]-2-phenylethanone
CID 119396751
1-[(2S)-1-(adamantane-1-carbonyl)pyrrolidine-2-carbonyl]piperidine-4-carboxamide
CID 51969018
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398426
1-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidine-2-carboxylic acid
CID 61408512

Frequently Asked Questions

What is the IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride (CID 119397972) is [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is CNCC1CCCN(C(=O)C2CCCN2C(=O)C23CC4CC(CC(C4)C2)C3)C1.Cl.
What is the InChIKey of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is AOPRMOIWXQBHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2.ClH/c1-24-14-16-4-2-6-25(15-16)21(27)20-5-3-7-26(20)22(28)23-11-17-8-18(12-23)10-19(9-17)13-23;/h16-20,24H,2-15H2,1H3;1H.
What are the key properties of [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride?
[1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 424.03 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(adamantane-1-carbonyl)pyrrolidin-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119397972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).